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Isobutyric anhydride

5月 29th, 2024 News

isobutyric anhydride structural formula

Structural formula

Business number 02CM
Molecular formula C8H14O3
Molecular weight 158.19
label

2-Methylpropionic anhydride,

isobutyric anhydride,

n-butyric anhydride,

Isobutyric anhydride,

(Iso-c3h7co)2o,

1-Methylpropanoic anhydride,

2-Methylpropanoic acid anhydride,

2-Methyl-propanoicacianhydride,

2-Methylpropanoiccidanhydride,

Anhydrideisobutyrique,

Isobutryic anhydride,

Isobutyric acid anhydride,

(CH3)2CHCO2COCH(CH3)2

Numbering system

CAS number:97-72-3

MDL number:MFCD00008913

EINECS number:202-603-6

RTECS number:NQ5550000

BRN number:386267

PubChem number:24881086

Physical property data

1. Properties: Colorless transparent liquid with pungent odor. [1]

2. Melting point (?): -55.9~-52.9[2]

3. Boiling point ( ?): 181.5~183[3]

4. Relative density (water=1): 0.954[4]

5. Relative vapor density (air=1): 5.45[5]

6. Saturated vapor pressure (kPa): 3.2 (92.4?)[6]

7. Octanol/water partition coefficient: 1.24[7]

8. Flash point (?): 59.44 [8]

9. Ignition temperature (?): 329[9]

10. Explosion limit (%): 7.7 [10]

11. Lower explosion limit (%): 1.09[11]

12. Solubility: slightly soluble In water, miscible in ethanol and ether. [12]

13. Refractive index: 1.406

Toxicological data

1. Acute toxicity No data available

2. Irritation No data available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects[13] This substance is harmful to the environment and should be specially Pay attention to water pollution.

Molecular structure data

1. Molar refractive index: 40.83

2. Molar volume (cm3/mol): 161.9

3. Isotonic specific volume (90.2K ): 374.9

4. Surface tension (dyne/cm): 28.7

5. Polarizability (10-24cm3): 16.18

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors.??:0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers :None

6. Topological molecule polar surface area 43.4

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 141

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Uncertain atoms Number of stereocenters: 0

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

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability[14] Stable

2. Incompatible substances[15] Strong oxidants, strong bases, alkalis

3. Avoid contact with air[16] Humid air

4. Hazards of aggregation[17] No aggregation

Storage method

Storage Precautions[18] Stored in a cool, dry and well-ventilated warehouse. The storage temperature should not exceed 37?. Keep away from fire and heat sources. The packaging must be sealed and protected from moisture. They should be stored separately from oxidants, alkalis, etc. and avoid mixed storage. 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

None

Purpose

Used as an intermediate for synthesizing pesticides and drugs to prepare isobutyrate plasticizers, flavors, and spices. [19]

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Urea

5月 29th, 2024 News

Urea structural formula

Structural formula

Business number 018E
Molecular formula CH4N2O
Molecular weight 60.06
label

carbonamide,

urea,

carbamide urea,

Urea (industrial use),

Urea, carbonamide,

carbonamide,

Aminomethamine,

Alpharate,

Carbonyldiamide,

Carbamide,

Ureaphil

Numbering system

CAS number:57-13-6

MDL number:MFCD00008022

EINECS number:200-315-5

RTECS number:YR6250000

BRN number:635724

PubChem number:24900617

Physical property data

1. Character: White, tasteless, odorless crystal or powder

2. Density (g/mL, 25 /4?): 1.323

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

4. Melting point (ºC): 132.9?. When heated above the melting point, it decomposes into biuret, chlorine and cyanuric acid.

5. Boiling point (ºC, normal pressure): 383

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

7. Refractive index: 1.4299

8. Flash point (ºC): Undetermined

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

p>

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

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

19. Solubility: Easily soluble in water, ethanol and benzene, 1g of this product is soluble in 1ml, 10ml95% ethanol, 1ml95% boiling water Ethanol, 20ml absolute ethanol, 6ml methanol and 2ml glycerin. Slightly soluble in ether, insoluble in chloroform.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Moore’s foldEmissivity: 13.78

2. Molar volume (cm3/mol): 49.5

3. Isotonic volume (90.2K): 135.0

4. Surface tension (dyne/cm): 55.3

5. Polarizability (10-24cm3): 5.46

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -1.4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 69.1

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 29

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 has certain hygroscopicity and will decompose when heated above the melting point.

Storage method

1. This product should be sealed and stored in a cool, dry place.

Synthesis method

1. Urea is the final product of protein metabolism in mammals. In 1922, industrial production of urea using ammonia and carbon dioxide was realized in Germany. Ammonia reacts with carbon dioxide to form amine carbamate, which is then dehydrated to form urea.

2.Ammonia reacts with carbon dioxide to form ammonium carbamate, which is then dehydrated to form urea.

The purified ammonia and carbon dioxide are mixed and sent to the synthesis tower at a molar ratio of 2.8 to 4.5. The pressure in the tower is 13.8 to 24.6MPa, the temperature is 180 to 200°C, and the reaction material residence time is 25 to 40 minutes to obtain excess ammonia. and urea solution of ammonium carbamate (urea solution). After decompression and cooling, the urea liquid after separating ammonia and ammonium carbamate is evaporated and concentrated to more than 99.5%, and then granulated in a granulation tower to obtain the finished urea.

There are currently 4 popular processes in the world: the CO2 stripping process of Stamicarbon in the Netherlands, and Snam in Italy. Progeti’s NH3 stripping process, Japan’s Mitsui Toyo’s ACES process and Italy’s Monte Edison’s IDR process. Foreign countries have recently successfully developed a new process for high-efficiency combined urea production. This process is a major improvement based on the aqueous solution circulation method. Its scale can be large or small, and it is especially suitable for the technological transformation and production conversion of medium and small nitrogen fertilizer enterprises in my country. Its consumption indicators per ton of urea are almost indistinguishable from those of the above-mentioned advanced processes. The process flow is as follows:

3 .Calcium cyanamide generates cyanamide under the action of sulfuric acid, and then reacts with water to form urea:

After decolorization and recrystallization, the finished product is obtained

Purpose

1. Urea is mainly used as chemical fertilizer. Industrially, it is also used as a raw material for the manufacture of urea-formaldehyde resin, polyurethane, and melamine-formaldehyde resin. It is also widely used in medicine, explosives, tanning, flotation agents, pigments, and dewaxing of petroleum products. When urea is heated to 200°C, it generates solid tripolychloric acid (cyanuric acid). Derivatives of cyanuric acid: trichloroisocyanuric acid, sodium dichloroisocyanurate, tri(2-hydroxyethyl) isocyanurate, tri(allyl)isocyanurate, tri(3,5-di Tert-butyl-4-hydroxybenzyl) isocyanate, triglycidyl isocyanurate, melamine cyanurate complex, etc. have many important applications. The first two are new high-end disinfectants and bleaches. The total production capacity of trichloroisocyanuric acid in the world exceeds 80,000 tons.

2.Test antimony and tin, and determine lead, copper, gallium, phosphorus, iodide, and nitrate.

3.As a non-protein nitrogen source for ruminants, it is added to feed.

4.Used as analytical reagents and stabilizers. Also used in organic synthesis.

5.Used as a solubilizer for liquid detergents. Used in the preparation of toothpaste, it can inhibit the growth of lactobacilli and dissolve the plaque on the tooth surface, thereby acting as an anti-acid and desensitizing agent. Also used in cosmetics. Also used as a reagent for testing antimony and tin. Used to prepare strontium salts, fireworks, etc.

6.Used for moisturizing and moisturizing in cosmetics.

7.It has a brightening effect on chemical polishing of steel and stainless steel, and is used as a corrosion inhibitor in metal pickling. Preparation of palladium activation solution.

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Isobutane

5月 29th, 2024 News

isobutane structural formula

Structural formula

Business number 01JD
Molecular formula C4H10
Molecular weight 58.12
label

2-Methylpropane,

Trimethylmethane,

Trimethylmethane,

2-Methylpropane,

Aliphatic hydrocarbons

Numbering system

CAS number:75-28-5

MDL number:MFCD00008926

EINECS number:200-857-2

RTECS number:TZ4300000

BRN number:1730720

PubChem ID:None

Physical property data

1. Properties: colorless, slightly odorous gas. [1]

2. Melting point (?): -159.6[2]

3. Boiling point (?): -11.8[3]

4. Relative density (water=1): 0.56 (20?)[4]

5. Relative vapor density (air=1): 2.01[5]

6. Saturated vapor pressure (kPa): 304 (20?)[6]

7. Heat of combustion (kJ/mol): -2871.1[7]

8. Critical temperature (?): 134.69[8]

9. Critical pressure (MPa): 3.65[9]

10. Octanol/water partition coefficient :2.76[10]

11. Flash point (?): -82.8[11]

12. Ignition Temperature (?): 460[12]

13. Explosion limit (%): 8.5[13]

14 .Lower explosion limit (%): 1.4[14]

15. Solubility: Slightly soluble in water, soluble in ether, ethanol, and chloroform. [15]

16. Lennard-Jones parameter (A): 5.5342

17. Lennard-Jones parameter (K): 274.84

18. Solubility parameter (J·cm-3)0.5: 14.027

19. van der Waals area (cm 2·mol-1): 6.930×109

20. van der Waals volume (cm3 sup>·mol-1): 47.790

21. Critical volume (cm3·mol-1): 259

22. Critical density (g·cm-3): 0.224

23. Critical compression factor: 0.278

24 .Eccentricity factor: 0.177

25. Gas phase standard combustion heat (enthalpy) (kJ·mol-1): -2868.2

26. Gas phase standard claim Heat (enthalpy) (kJ·mol-1): -135.0

27. Gas phase standard entropy (J·mol-1·K-1): 295.50

28. Gas phase standard free energy of formation (kJ·mol-1): -21.4

29. Gas phase standard hot melt (J·mol-1·K-1): 96.65

30. Liquid phase standard combustion heat (enthalpy) (kJ ·mol-1): -2848.9

31. Liquid phase standard claims heat (enthalpy) (kJ·mol-1): -154.3

32. Liquid phase standard entropy (J·mol-1·K-1): 217.94

33. Liquid phase Standard free energy of formation (kJ·mol-1): -17.8

34. Liquid phase standard hot melt (J·mol-1·K -1)?141.64

Toxicological data

1. Acute toxicity: rat inhalation LC50: 57 pph/15M; mouse inhalation LC50: 1041 gm/m3/2H;

Ecological data

1. EcotoxicityNo information available

2. Biodegradability No information available

3. Non-biodegradability[16] In the air, when the concentration of hydroxyl radicals is 5.00×105/cm3, the degradation half-life is 6.9d (theoretical).

4. Other harmful effects [17] This substance may be harmful to the environment. Special attention should be paid to surface water, soil, atmosphere and drinking water. of pollution.

Molecular structure data

1. Molar refractive index: 20.53

2. Molar volume (cm3/mol): 94.9

3. Isotonic specific volume (90.2K ): 188.6

4. Surface tension (dyne/cm): 15.5

5. Dielectric constant (F/m): 1.77

6. Polar Chemical rate (10-24cm3): 8.14

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

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: 4

8. Surface charge: 0

9. Complexity: 4.8

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. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability[18] Stable

2. Incompatible substances[19] Strong oxidants, strong acids, strong bases, halogens

3. Polymerization hazards[20] No polymerization

Storage method

Storage Precautions[21] Stored in a cool, ventilated warehouse dedicated to flammable gases. Keep away from fire and heat sources. The storage temperature should not exceed 30?. 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. The storage area should be equipped with leakage emergency response equipment.

Synthesis method

1. Exists in petroleum gas, natural gas and cracked gas. It is obtained by separating the carbon four fractions produced during the petroleum cracking process.

2. Use industrial isobutane as raw material (content is 82% to 91%), and adopt a three-stage adsorption process. The first-stage adsorber removes impurities such as C2, C3, n-butane and 1-butene, the second-stage adsorber removes isobutylene, and the third-stage adsorber further removes C2 and C3 hydrocarbon impurities. The product purity is greater than 99.99%.

Purpose

1. Used to produce isooctane through alkylation with isobutylene and used as a gasoline octane number improver. Isobutylene and propylene can be produced through cracking. Alkylation with isobutylene and propylene can produce alkylated gasoline. Methacrylic acid, acetone and methanol can be prepared. It can also be used as a refrigerant.

2. High-purity isobutane is mainly used as standard gas and for preparing special standard mixed gas.

3. Used to synthesize isooctane, as a gasoline octane number improver, used to make isobutylene, propylene, methacrylic acid, and used as refrigerant, etc. [22]

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