3-Amino-2,5-dichlorobenzoic acid
Structural formula
| Business number | 03P9 |
|---|---|
| Molecular formula | C7H5Cl2NO2 |
| Molecular weight | 205 |
| label |
Trifenacetate, Mesocarb, Ambiben,Amibin,Chlorambed,Vegiben,Vegaben, herbicide |
Numbering system
CAS number:133-90-4
MDL number:MFCD00065093
EINECS number:205-123-5
RTECS number:DG1925000
BRN number:2365906
PubChem number:24849246
Physical property data
None
Toxicological data
Acute toxicity data :
Rat Sutra Mouth LD50: 3500mg/kg
Rat skin LD50：>2200mg/kg
Mouse Sutra Mouth LD50: 3725mg/kg
Rabbit skinLD50：3136mg/kg
Other multi-dose Data:
Rat Sutra 口TDLo：364mg/kg/52W-I
Oncogenic data ：
Mouse Sutra 口TDLo：672mg/kg/80W-C
Mouse Sutra 口TD：1344mg/kg/80W-C
Mutation data ：
Bacteria–Salmonella typhimurium: 10mg/plate
Mouse abdominal cavity ：58500ug/kg
Mouse Sutra Mouth: 234mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1、 Molar refractive index：47.20
2, Molar volume（m3/mol):128.1
3, Isotonic specific volume（90.2K）：366.9
4, Surface tension（3.0 dyne/cm SPAN>): 67.2
5, Polarizability（ 0.5 10-24cm3): 1.658
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 63.3
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 188
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
None
ial”>Isotonic specific volume(90.2K):366.9
4, Surface tension（3.0 dyne/cm SPAN>): 67.2
5, Polarizability（ 0.5 10-24cm3): 1.658
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 63.3
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 188
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
None
