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
