structural formula

business number	02c7
molecular formula	c8h10clno2
molecular weight	187.62
label	2,4-dimethoxy-5-chloroaniline

• 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:97-50-7

mdl number:mfcd00025752

einecs number:202-586-5

rtecs number:none

brn number:2211013

pubchem number:24862121

physical property data

1. characteristics: white to light gray crystal.
2. density (g/ml, 20℃): undetermined
3. relative vapor density (g/ml, air=1): undetermined
4. melting point ( ºc): 89-92
5. boiling point (ºc, normal pressure): undetermined
6. boiling point (ºc, kpa): undetermined
7. refractive index: undetermined determined
8. flash point (ºc): not determined
9. specific optical rotation (º): not determined
10. autoignition point or ignition temperature (ºc): not determined determined
11. vapor pressure (mmhg, 20.2ºc): undetermined
12. saturation vapor pressure (kpa, ºc): undetermined
13. heat of combustion (kj/mol ): undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil-water (octanol/water) partition coefficient log value: undetermined
17. upper explosion limit (%, v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: not determined

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 45.64

2. molar volume (cm³/mol): 132.6

3. isotonic specific volume (90.2k ): 359.2

4. surface tension (dyne/cm): 53.7

5. polarizability (10-24cm3): 18.09

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.8

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

5. number of tautomers: none

6. topological molecule polar surface area 44.5

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 145

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

none

synthesis method

none

purpose

used in the synthesis of naphthol as-itr, pigment red 5 and other dyes and their intermediates.

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