Epoxy curing agent Knowledge Acetazolamide Acetazolamide

Acetazolamide Acetazolamide

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acetazolamide structural formula

Structural formula

Business number 01AL
Molecular formula C4H6N4O3S2
Molecular weight 222.25
label

5-Acetamido-1,3,4-thiadiazole-2-sulfonamide,

N-(5-[Aminosulfonyl]-1,3,4-thiadiazol-2-yl)acetamide,

N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

Numbering system

CAS number:59-66-5

MDL number:MFCD00003105

EINECS number:200-440-5

RTECS number:AC8225000

BRN number:212994

PubChem number:24278144

Physical property data

1. Appearance: White needle-like crystal or crystalline powder

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

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

4. Melting point (ºC): 256-261℃ (decomposition)

5. Boiling point (ºC, normal pressure): 304-305

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

7. Refractive index: Undetermined

8. Flash point (ºC) : 173

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. Oil and water (octanol/water) distribution Log value of coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined 19. Solubility : Slightly soluble in boiling water, slightly soluble in water and ethanol, almost insoluble in chloroform or ether, easily soluble in ammonia solution.

Toxicological data

Acute toxicity

Main irritant effects:

On skin: May cause inflammation

On eyes: May cause inflammation

Sensitization: No known sensitizing effects.

Ecological data

General remarks

Water hazard level 1 (German regulations) (self-assessment via list) This substance is extremely hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 45.95

2. Molar volume (cm3/mol): 127.3

3. Isotonic specific volume (90.2K): 400.7

4. Table�� Tension (dyne/cm): 97.9

5. Polarizability (10-24cm3): 18.21

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 5

6. Topological molecule polar surface area 152

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 297

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

None yet

Storage method

Seal and save.

Synthesis method

1. Chlorination and oxidation of 2-acetylamino-5-mercapto-1,3,4-thiadiazole is added to the mixture of glacial acetic acid and water, cooled to -2°C and passed through chlorine, and the final temperature does not exceed 5°C . When the material temperature drops significantly and a large amount of foam appears on the liquid surface, stop passing chlorine when the liquid chlorine is consumed to the specified amount, filter, and wash the filter cake with ice water until the pH is 4 to obtain oxychloride (2-acetyl chloride-5 -Sulfonyl chloride-1,3,4-thiadiazole). 2. Amination Mix ammonia water with crushed ice and cool down to below 5℃. Add oxychloride, complete the addition, and keep warm for half an hour. Adjust the pH to 5-6 with hydrochloric acid, filter, wash the filter cake until the pH is 7, and dry to obtain crude acetazolamide. Heat the crude product, water, activated carbon and sodium metabisulfite to 95°C, decolorize for 1-1.5 hours, filter while hot, cool the filtrate to crystallize, filter, wash and dry to obtain acetazolamide.

Purpose

Carbonic anhydrase inhibitors.

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