structural formula
| business number | 01y9 |
|---|---|
| molecular formula | c7h8cln |
| molecular weight | 141.60 |
| label |
6-chloro-2-methylaniline, 6-methyl-2-chloroaniline, 6-chloro-o-toluidine, 2-amino-3-chlorotoluene, 6-chloro-o-toluidine, clc6h3(ch3)nh2 |
numbering system
cas number:87-63-8
mdl number:mfcd00007679
einecs number:201-759-2
rtecs number:xu5100000
brn number:774624
pubchem number:24892753
physical property data
1. characteristics:light yellow liquid
2. density ( g/ml,15/4℃): 0.984
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc): 2
5. boiling point (ºc,normal pressure): 214
6. boiling point (ºc,1.33kpa):96.9
7. refractive index:1.5760
8. flash point (ºc):98
9. specific optical rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. cat subcutaneous ldlo: 200 mg/kg;
2. teratogenicity
mouse: 200 mg/kg;
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 40.20
2. molar volume (m3/mol）：119.9
3. isotonic specific volume (90.2k):306.6
4. surface tension (dyne/cm):42.7
5. polarizability（10-24cm3):15.94
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 26
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 94.9
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
this product is sealed and stored in a cool, dry place.
synthesis method
none yet
purpose
medicines, pesticides, dye intermediates
mso-hansi-font-family: arial; mso-bidi-font-family: arial”>surface tension (dyne/cm):42.7
5. polarizability（10-24cm3):15.94
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 0
5. number of tautomers: none
6. topological molecule polar surface area 26
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 94.9
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
this product is sealed and stored in a cool, dry place.
synthesis method
none yet
purpose
medicines, pesticides, dye intermediates
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