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):42.75. 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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