3-amino-2,5-dichlorobenzoic acid

structural formula

• 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