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
• 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: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