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acenaphthene

admin 6月 3rd, 2024 News

acenaphthene structural formula

Structural formula

Business number	01TN
Molecular formula	C12H10
Molecular weight	154.21
label	naphthoethane, Naphthaethyl ring, Versaphos, naphthyl ring, rylene, acenaphthene, Killer, acenaphthene, Er, rylene, Ethane naphthalene, Naphthylene ethylene, 1,2-Dihydroacemaphthylene, peri-Ethylenenaphthalene, 1,8-Ethylenenaphthalene, Aromatic hydrocarbons

Numbering system

CAS number:83-32-9

MDL number:MFCD00003807

EINECS number:201-469-6

RTECS number:AB1000000

BRN number:386081

PubChem ID:None

Physical property data

1.Characteristics: white needle-like crystals. ^[1]

2. Melting point (?): 95^[2]

3. Boiling point (?): 279 ^[3]

4. Relative density (water = 1): 1.024^[4]

5. Relative vapor density (Air=1): 5.32^[5]

6. Saturated vapor pressure (kPa): 1.33 (131.2?)^[6]

7. Critical pressure (MPa): 3.1^[7]

8. Octanol/water partition coefficient: 3.92^[8]

9. Flash point (?): 120^[9]

10. Explosion limit (%): 5.3^[10]

11. Lower explosion limit (%): 0.8^[11]

12. Solubility: insoluble in water, slightly soluble in ethanol, Soluble in chloroform, benzene, toluene, glacial acetic acid and petroleum ether. ^[12]

13. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -6307.3

14. Gas phase standard claimed heat (enthalpy) (kJ·mol^-1): 156.0

15. Crystal phase standard combustion heat (enthalpy) (kJ·mol^-1): -6221.6

16. Crystal phase standard claims heat (enthalpy) (kJ·mol^-1): 70.3

Toxicological data

1. Acute toxicity^[13] LD50: 600mg/kg (rat abdominal cavity)

2. Irritation strong> No data yet

3. Mutagenicity^[14] Microbial mutagenicity: Salmonella typhimurium spp. 0.5nmol/dish (48h). Cytogenetic analysis: hamster lung 10mmol/L (6h)

Ecological data

1. Ecotoxicity^[14]

LC50: 1.7mg/L (72h), 1.6mg/L (96h) (blackhead Minnow);

7.2mg/L (24h), 1.7mg/L (96h) (bluegill sunfish, static);

1.57mg/L (24h), 1.13mg/L??48h), 0.8mg/L (72h), 0.67mg/L (96h) (rainbow trout); 0.96mg/L (96h) (sugar shrimp, static)

EC50: 0.52mg/L (96h) (green algae); 0.5mg/L (96h) (Skeletonema costatum)

2. Biodegradability^[15]

Aerobic biodegradation (h): 295~2448

Anaerobic biodegradation (h): 1180~9792

3. Abiotic degradation Properties^[16]

Aqueous phase photolysis half-life (h): 3~60

Photolysis maximum light absorption wavelength range (nm ): 288~320

Photooxidation half-life in air (h): 0.879~8.79

Molecular structure data

1. Molar refractive index: 51.65

2. Molar volume (cm³/mol): 134.9

3. Isotonic specific volume (90.2K ): 357.2

4. Surface tension (dyne/cm): 49.2

5. Dielectric constant (F/m): 3.11

6. Polar Chemical rate (10^-24cm³): 20.47

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 155

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Flammable and irritating to eyes, respiratory system and skin. Appropriate protective clothing should be worn for heavy use. Avoid contact with eyes and skin. In case of contact with eyes, rinse immediately with plenty of water.

2. Stability^[17] Stable

3. Incompatible substances^[18] Strong oxidizing agent

4. Conditions to avoid contact^[19] Heat

5. Aggregation hazards^[20] No aggregation

Storage method

Storage Precautions^[21]Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 35?. The packaging is sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. In high-temperature tar, it contains about 1.2%-1.8% acenaphthene. The wash oil separated from coal tar distillation is divided into various narrow fractions by distillation method, and industrial acenaphthene is produced from the 270-280°C fraction.

2. It can also be produced by the interaction between naphthalene and ethylene.

Purpose

1. Determination of aromatic aldehydes. Fungicides. Manufacturing of dyes and plastics.

2. Used as dye intermediates, pesticides, fungicides, etc. ^[22]

n-butyl methacrylate

admin 6月 3rd, 2024 News

N-butyl methacrylate structural formula

Structural formula

Business number	02CV
Molecular formula	C8H14O2
Molecular weight	142.20
label	n-Butyl isobutyrate, n-butyl methacrylate, butyl methacrylate, Butyl-2-methyl-2-acrylate, n-butyl methacrylate, 2-n-Butyl methacrylate, n-butyl methacrylate, Butyl methacrylate (containing stabilizer hydroquinone), n-Butyl methacrylate, 2-Methyl-2-propenoic acid butyl ester, 2-Methylacrylic acid butyl ester, BMA, paint solvents, petroleum additives, Electronic coating raw materials and intermediates

Numbering system

CAS number:97-88-1

MDL number:MFCD00009444

EINECS number:202-615-1

RTECS number:OZ3675000

BRN number:773960

PubChem number:24883107

Physical property data

1. Properties: colorless and transparent liquid with sweet and ester smell. ^[1]

2. Melting point (?): -76.3~-74.9^[2]

3. Boiling point ( ?): 160~163^[3]

4. Relative density (water=1): 0.90 (20?)^[4]

5. Relative vapor density (air=1): 4.8^[5]

6. Saturated vapor pressure (kPa): 0.65 (20?)^[6]

7. Heat of combustion (KJ/mol): -4891.7^[7]

8. Critical pressure (MPa ): 2.6^[8]

9. Octanol/water partition coefficient: 2.88^[9]

10. Flash Point (?): 41; 54.4 (OC): 52.2 (OC) ^[10]

11. Ignition temperature: 294^[11]

12. Explosion upper limit (%): 8^[12]

13. Explosion lower limit (%): 2^[13] sup>

14. Solubility: Insoluble in water, miscible in alcohol and ether, and soluble in most organic solvents. ^[14]

Toxicological data

1. Acute toxicity: Mouse abdominal LD50: 1490 mg/kg; Rabbit transdermal LD50: 11300 mg/kg; Rat oral LD50: 20g/kg; Rat inhalation LC50: 19689mg/m3, 4 hours;

2. It is irritating to the eyes, respiratory system and skin, and may cause allergies in contact with the skin.

3. Acute toxicity^[15]

LD50: 16g/kg (rat Oral); 1490mg/kg (mouse intraperitoneal); 11300mg/kg (rabbit transdermal)

LC50: 19689mg/m³ppm (rat inhalation, 4h)

4. Irritation^[16] Rabbit transdermal: 500ul, mild irritation.

5. Subacute and…Sexual toxicity^[17] Rat oral administration: 5% LD50, 4 to 6 months (feeding), moderate accumulation.

Ecological data

1. Ecotoxicity^[18] EC50: 37~55mg/L (5, 15, 30min) (photobacteria, Microtox Test)

2. Biodegradability^[19] MITI-I test, initial concentration 100ppm, sludge concentration 30ppm, 38% degraded after 28 days.

3. Non-biodegradability^[20] In the air, when the hydroxyl radical concentration is 5.00×105 pieces/cm³, the degradation half-life is 17h (theoretical).

When the pH value is 11, the hydrolysis half-life is 4 hours.

4. Bioconcentration^[21] BCF: 91 (theoretical)

5. Other harmful effects^[22] This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 40.45

2. Molar volume (cm³/mol): 158.9

3. Isotonic specific volume (90.2K ): 360.3

4. Surface tension (dyne/cm): 26.4

5. Polarizability: 16.03

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 127

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. This product is basically the same as methyl methacrylate and has lower toxicity. The oral LD50 in rats is 20mL/kg body weight. The protection requirements are the same as those for methyl methacrylate.

2. Stability^[23] Stable

3. Incompatible substances^[24] Strong oxidants, strong acids, strong alkali

4. Conditions to avoid contact ^[25] Heat, light, ultraviolet rays , contact with air

5. Polymerization hazard^[26] Polymerization

Storage method

Storage Precautions^[27] Usually products contain polymerization inhibitors. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37?. The packaging must be sealed and must not come into contact with air. They should be stored separately from oxidants, acids, and alkalis, and avoid mixed storage. It should not be stored in large quantities or for long periods of time. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Methacrylic acid and n-butanol undergo an esterification reaction under the catalysis of sulfuric acid, and then undergo salting out and distillation to obtain the finished product.

Methacrylic acid and n-butanol The esterification reaction is carried out in the presence of sulfuric acid catalyst and polymerization inhibitor hydroquinone, and then the finished product is obtained through salting out and distillation. See “butyl acrylate”. The reaction formula is as follows:

Purpose

1. Organic synthesis, preparation of embedding media for electron microscopy, adhesives for plastics and optical glasses, emulsifiers for textiles, leather shoes and papermaking, solvents for coatings, and petroleum additives.

2. Used as a soft monomer in the manufacture of acrylic solvent-based and emulsion-based adhesives. Its low viscosity polymer can be used as special coatings, paper and leather processing aids, fiber treatment agents, metal surface treatment agents, etc. Poly-n-butyl methacrylate produced from this product is a transparent elastic material and is widely used as the interlayer of aircraft cockpit safety glass and bulletproof glass such as automobiles, as well as precision radio equipment. It can also be copolymerized with the same series of unsaturated esters and acids to produce materials for various uses.

3. Mainly used to manufacture acrylate polymers and copolymers. Used in the manufacture of bulletproof glass and precision radio equipment, and used as oil additives in the petroleum industry.

4. Used in organic synthesis, binders for manufacturing plastics and optical glasses, and auxiliaries for textile, leather and papermaking. ^[28]

Acetyl chloride

admin 5月 30th, 2024 News

Acetyl chloride structural formula

Structural formula

Business number	01JL
Molecular formula	C2H3ClO
Molecular weight	78
label	Chloroacetyl, Acetyl chloride, Acetyl chloride, Ethanoyl chloride, Aliphatic carboxylic acids and their derivatives

Numbering system

CAS number:75-36-5

MDL number:MFCD00000719

EINECS number:200-865-6

RTECS number:AO6390000

BRN number:605303

PubChem number:24845125

Physical property data

1. Characteristics: colorless fuming liquid with a strong pungent odor. ^[1]

2. Melting point (?): -112^[2]

3. Boiling point (?): 51~52^[3]

4. Relative density (water=1): 1.11 (20?)^[4]

5. Relative vapor density (air=1): 2.70^[5]

6. Saturated vapor pressure (kPa): 32 (20?)^{[6 ]}

7. Heat of combustion (kJ/mol): -1099^[7]

8. Critical temperature (?): 246 ^[8]

9. Critical pressure (MPa): 5.83^[9]

10. Octanol/water distribution Coefficient: -0.47^[10]

11. Flash point (?): 4 (CC)^[11]

12. Ignition temperature (?): 390^[12]

13. Explosion upper limit (%): 19^[13]

14. Lower explosion limit (%): 7.3^[14]

15. Solubility: soluble in acetone, ether, acetic acid, benzene and chloroform. ^[15]

16. Solubility parameter (J·cm^-3)^0.5?20.189

17. van der Waals area (cm²·mol^-1): 5.520×10⁹

18. van der Waals volume (cm³·mol^-1): 36.990

19. Liquid phase standard claims heat (enthalpy) (kJ· mol^-1): -275.2

20. Liquid phase standard hot melt (J·mol^-1·K^-1): 115.0

21. Gas phase standard claimed heat (enthalpy) (kJ·mol^-1): -242.8

22. Gas phase standard entropy (J·mol^-1·K^-1): 295.21

23. Gas phase standard formation free energy (kJ·mol^-1): -205.1

24. Gas phase standard hot melt (J·mol^-1·K^-1): 67.89 p>

Toxicological data

1. Acute toxicity^[16] LD50: 910mg/kg (rat oral)

2. Irritation No data yet

3. Mutagenicity ^[17] Gene transformation and mitotic recombination: Drosophila melanogaster 62500?mol/L p>

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability^[18] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm³ When, the degradation half-life is 5a (theoretical).

4. Other harmful effects^[19] This substance is dangerous to the environment.?, special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 16.19

2. Molar volume (cm³/mol): 70.0

3. Isotonic specific volume (90.2K ): 155.2

4. Surface tension (dyne/cm): 24.1

5. Polarizability (10^-24cm³): 6.41

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 33

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. It smokes in humid air and has a tear-inducing effect. Mixed with air can form explosive gas. If there is a spill or leak, neutralize it immediately with baking soda.

2. Stability^[20] Stable

3. Incompatible substances^[21] Water, alcohols, strong oxidants, strong alkali

4. Conditions to avoid contact ^[22] Heat, Humid air

5. Polymerization hazard^[23] Does not polymerize

6. Decomposition products^{[ 24]} Hydrogen chloride, phosgene

Storage method

Storage Precautions^[25]Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 37°C. The packaging must be sealed to prevent moisture. They should be stored separately from oxidants, alcohols, etc. and avoid mixed storage. It should not be stored for a long time to avoid deterioration. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Industrially, acetyl chloride can be produced by reacting ethylene with hydrogen chloride, or by reacting sodium acetate, sulfur dioxide and chlorine. Laboratory can be produced by reacting acetic acid, sodium acetate or acetic anhydride with various chlorinating agents. For example, it is obtained by reacting acetic anhydride with chlorosulfonic acid (or hydrogen chloride, carbon tetrachloride, or phosgene). It can also be obtained by reacting glacial acetic acid with benzoyl chloride (or silicon tetrachloride, phosphorus trichloride, chlorinated sulfurous acid, or phosphorus pentachloride). Operation Example 1: The ingredient ratio (molar ratio) is glacial acetic acid:phosphorus trichloride=3:1.2. Add glacial acetic acid to the reactor, stir slowly, and add phosphorus trichloride dropwise at room temperature within 10-15 minutes. Heat to increase the temperature and maintain 40-50°C for 0.5 hours. The reaction product is allowed to stand and separated to obtain crude acetyl chloride with a pure yield of about 70%. Operation Example 2 In a 3L three-necked flask, put 360g (6mol) glacial acetic acid and 552g toluene, heat to 50°C, add 510g (3mol) silicon tetrachloride dropwise within 30min, and keep it at 50°C until the hydrogen chloride gas is no longer violent. until it escapes. Then carry out fractional distillation and steam until the temperature at the top of the column is 80-85°C to obtain the crude product. The fine product is distilled again, and 50-65 fractions are taken to obtain 400g of acetyl chloride, with a yield of 85%. Raw material consumption quota: glacial acetic acid 850kg/t, phosphorus trichloride 1950kg/t.

Purpose

1. Determination of cholesterol and moisture in organic liquids, lead hydroxytetraethyl, etc.

2. Used in the manufacture of organic compounds, dyes and pharmaceuticals. ^[26]

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acenaphthene

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

n-butyl methacrylate

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

Acetyl chloride

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

PRODUCT