structural formula

business number	0164
molecular formula	c19h16clno4
molecular weight	357.79
label	indomethacin, anti-inflammatory indoleic acid, 1-p-chlorobenzoyl-5-methoxy-2-methylindoleacetic acid, indenaxin, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:53-86-1

mdl number:mfcd00057095

einecs number:200-186-5

rtecs number:nl3500000

brn number:497341

pubchem number:24278173

physical property data

1. character:white crystal. sensitive to light.

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc):155℃（162℃）

5. boiling point (ºc,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. 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/log value of water) partition coefficient: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility:decomposes when encountering strong alkali. soluble in ethanol, ether, acetone and castor oil, almost insoluble in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 94.59

2. molar volume (m³/mol) ：269.5

3. isotonic ratio(90.2k)：707.6

4. surface tension(dyne/cm)：47.4

5. polarizability(10-24cm³)：37.49

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: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 68.5

7. number of heavy atoms: 25

8. surface charge: 0

9. complexity: 506

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

storage method

this product should be sealed in4preserve dry.

synthesis method

p-aminoanisole undergoes diazotization, reduction, acidification, hydrolysis, and cyclization to obtain indomethacin.

purpose

for biochemical research. biosynthesis of prostaglandins. the it is an anti-inflammatory product with obvious antipyretic effects. it is mainly used for rheumatic arthritis, ankylosing spondylitis, osteoarthritis, etc. that are intolerant to salicylic acid drugs or have insignificant efficacy.

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