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histamine phosphate

admin 5月 7th, 2024 News

Histamine phosphate structural formula

Structural formula

Physical competition number	0155
Molecular formula	C5H9N3·2H3PO4
Molecular weight	307.13
label	Histamine diphosphate, histamine phosphate, Histamine diphosphate, Histamine diphosphate

Numbering system

CAS number:51-74-1

MDL number:MFCD00150816

EINECS number:24877940

RTECS number:NI5425000

BRN number:3744619

PubChem ID:None

Physical property data

1. Character: Colorless prismatic crystal Or white crystalline powder. Odorless.

2. Density (g/mL,25/4?): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC): 140

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index : Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º):Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturation vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Logarithmic value of partition coefficient (water): undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Soluble in4Part of water, slightly soluble in ethanol, almost insoluble in ether. Aqueous solutions are acidic to litmus.

Toxicological data

1, acute toxicity: rat abdominal cavity LD50: 1781 mg/kg; rat intravenous LDLo: 900 mg/kg; mouse intravenous Oral LD50: 807mg/kg; mouse abdominal cavity LD50: 913 mg/kg;
Mouse vein LD50: 333mg/kg; Rabbit vein LD50: 2763ug/kg; rabbit parenteral LDLo: 1 mg /kg; Guinea pig vein LD50: 608ug/kg;
Guinea pig parenteral LD50: 746ug/kg;
2, Reproductive toxicity: parenteral in female miceTDLo: 62500ug/kg, 8 days after conception

Ecological data

None

Molecular structure data

None

Compute chemical data

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

2. Number of hydrogen bond donors: 8

3. Number of hydrogen bond acceptors: 10

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 210

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 115

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 3

Properties and stability

Hygroscopic. Stable in air, but deteriorated by light. Aqueous solutions are acidic to litmus.

Storage method

Should be sealed Store in a dry and dark place.

Synthesis method

None

Purpose

Biochemical studies, determination of substrates for histaminase.

2-bromotoluene

admin 5月 7th, 2024 News

2-bromotoluene structural formula

Structural formula

Physical competition number	0293
Molecular formula	C7H7Br
Molecular weight	171.03
label	o-bromotoluene, 1-bromo-2-methylbenzene, 2-bromotoluene, o-Bromotoluene, 1-Bromo-2-methyl-benzene, CH3C6H4Br, Halogenated hydrocarbon solvents, aromatic compounds

Numbering system

CAS number:95-46-5

MDL number:MFCD00000068

EINECS number:202-421-7

RTECS number:XS7965500

BRN number:1904176

PubChem number:24851133

Physical property data

1. Properties: colorless liquid^[1]

2. Melting point (?): -27.8^[2]

3. Boiling point (?): 181.7^[3]

4. Relative density (water=1): 1.422^[4]

5. Relative vapor density (air=1): 5.9^[5]

6. Saturated vapor pressure (kPa): 1.33 (59.1?)^[6]

7. Octanol/water partition coefficient: 3.43^[7]

8. Flash point (?) : 78.89 (CC) ^[8]

9. Solubility: Insoluble in water, soluble in ethanol, ether, and benzene, miscible in carbon tetrachloride. ^[9]

Toxicological data

1. Acute toxicity^[10]

LD50: 1540mg/kg (rat oral)

LC50 : 6800mg/m³ (rat inhalation)

2. Irritation No information available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability^[11] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm³ When, the degradation half-life is 9.8d (theoretical).

Molecular structure data

1. Molar refractive index: 38.76

2. Molar volume (cm³/mol): 121.8

3. Isotonic specific volume (90.2K ): 295.4

4. Surface tension (dyne/cm): 34.4

5. Dielectric constant:

6. Dipole moment (10-24cm3 ):

7. Polarizability: 15.36

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: 8

8. Surface charge: 0

9. Complexity: 70.8

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. Uncertain number of stereocenters of chemical bonds: 0

15. Covalency?Number of units: 1

Properties and stability

1. When exposed to high heat or burned, it decomposes and releases toxic gases. Combustible and toxic. After oxidation, o-bromobenzoic acid can be generated.

2. Stability^[12] Stable

3. Incompatible substances^[13] Strong oxidizing agent

4. Polymerization hazard^[14] No polymerization

5. Decomposition products^[15] Hydrogen bromide

Storage method

Storage Precautions^[16] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Originated from o-toluidine through diazotization and substitution. Cool the solution of o-toluidine and 40% hydrobromic acid to 0-5°C, add sodium nitrite solution dropwise, and control the dropping speed to avoid the escape of a large amount of brown gas. After the addition is completed, stir for 15 minutes and test the end point with potassium iodide starch solution (it should turn blue immediately). After the diazotization is completed, add copper powder, heat carefully, raise the temperature to 25-30°C and stop heating. Control the natural temperature rise to not exceed 50°C, and nitrogen gas will escape from the reaction. Incubate at 50°C for 1 hour, then steam distill the reaction solution to obtain an oily substance, wash it with 30% liquid alkali, concentrated sulfuric acid, and water in sequence, and dry it with anhydrous calcium chloride to obtain refined o-bromotoluene.

Purpose

Used in organic synthesis and as solvent. ^[17]

p-methoxyacetophenone

admin 5月 7th, 2024 News

Structural formula of p-methoxyacetophenone

Structural formula

Physical competition number	0154
Molecular formula	C9H11NO2
Molecular weight	165.19
label	N-(4-methoxyphenyl)acetamide, Acetaminophen, N-(4-Methoxyphenyl)acetamide, p-Acetanisidide, Aromatic nitrogen-containing compounds and their derivatives

Numbering system

CAS number:51-66-1

MDL number:MFCD00014963

EINECS number:200-114-2

RTECS number:AE8290000

BRN number:387887

PubChem ID:None

Physical property data

1. Character: off-white crystal

2. Density (g/mL, 25/4?): Undetermined

3. Relative vapor density (g/mL, air =1): Undetermined

4. Melting point (ºC): 130-132

5. Boiling point (ºC, normal pressure): Undetermined

6 . Boiling point (ºC, 5.2kPa): Not determined

7. Refractive index: Undetermined

8. Flash point (ºC): Not determined

9 . Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Insoluble in Cold water, soluble in hot water, benzene, acetic acid, ethanol and chloroform.

Toxicological data

1. Acute toxicity: mouse oral LD50: 1190mg/kg; rabbit LDLo: 3mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 47.20

2. Molar volume (cm³/mol): 146.5

3. Isotonic specific volume (90.2K): 367.6

4. Surface tension (dyne/cm): 39.6

5. Polarizability (10-24cm3): 18.71

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 38.3

7.???Number of atoms: 12

8. Surface charge: 0

9. Complexity: 151

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. Poisonous. Can irritate skin and mucous membranes. Production equipment should be sealed and the workshop should be well ventilated. Operators should wear protective equipment. If it splashes on skin or eyes, rinse with water immediately.

2. Raw materials and products have certain toxicity, so the production process Pay attention to protection. Production equipment should be sealed to prevent inhalation of dust and contact with skin. The production site should be well ventilated. Operators should wear protective equipment.
?

Storage method

1. Store in a cool, dry place and away from light.

Plastic bag lined, iron barrel or wooden barrel outer. Store in a cool, dry and ventilated place. Protect from sun and moisture, and keep away from fire and heat sources. Store and transport according to regulations for toxic chemicals.

2. Use sealed packaging in large-mouth iron drums and store in a ventilated and dry place to prevent moisture and sunlight exposure. Loading, unloading and transportation should be carried out in accordance with the regulations on flammable and toxic substances.

?

Synthesis method

It is derived from acetylation of p-methoxyaniline. Method 1: React p-methoxyaniline and acetic acid, steam out the excess acetic acid in the reactant and the water generated by the reaction, and purify the reaction product by vacuum distillation. Raw material consumption quota: p-methoxyaniline 778kg/t. Method 2: Acetylation with acetic anhydride, add p-methoxyaniline into a 1000ml three-necked bottle, add acetic anhydride at 50°C, react at 70°C for 10 minutes, cool, filter, wash with water and dry. The yield is about 95%.

Purpose

Organic Synthesis. It manufactures dispersed navy blue 2GL and maroon-based GP, and is also an intermediate for dye dispersed navy blue HGL and medicine.

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histamine phosphate

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

2-bromotoluene

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

p-methoxyacetophenone

Numbering system

Physical property data

Toxicological data

Ecological data

Molecular structure data

Compute chemical data

Properties and stability

Storage method

Synthesis method

Purpose

PRODUCT