Chemical Properties of 3-Amino-2,5-dichlorobenzoic acid (CAS 133-90-4)

3-Amino-2,5-dichlorobenzoic acid

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InChI
InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
InChI Key
HSSBORCLYSCBJR-UHFFFAOYSA-N
Formula
C7H5Cl2NO2
SMILES
Nc1cc(Cl)cc(C(=O)O)c1Cl
Molecular Weight1
206.03
CAS
133-90-4
Other Names
  • 2,5-Dichloro-3-aminobenzoic acid
  • 3-Amino-2,5-dichlorobenzoic acid
  • ACP-M-728
  • Acpm-629
  • Ambiben
  • Amiben
  • Amiben ds
  • Amibin
  • Amoben
  • Chlorambed
  • Chloramben
  • Chlorambene
  • Kyselina 3-amino-2,5-dichlorbenzoova
  • NCI-C00055
  • Ornamental weeder
  • Ornamental weeder 4G
  • Vegaben
  • Vegiben
Sources

Physical Properties

Property Value Unit Source
Δf -131.57 kJ/mol Joback Calculated Property
Δfgas -248.19 kJ/mol Joback Calculated Property
Δfus 26.04 kJ/mol Joback Calculated Property
Δvap 78.27 kJ/mol Joback Calculated Property
logPoct/wat 2.27 Crippen Calculated Property
Pc 4652.99 kPa Joback Calculated Property
Tboil 694.62 K Joback Calculated Property
Tc 921.79 K Joback Calculated Property
Tfus 475.75 ± 0.20 K NIST
Tfus 474.50 ± 0.20 K NIST
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 273.93 J/mol×K 694.62 Joback Calculated Property
ΔfusH 37.42 kJ/mol 475.6 NIST
ΔfusH 37.42 kJ/mol 475.6 NIST

Molecular Descriptors

Joback and Reid Groups
-Cl 2
=CH- (ring) 2
-OH (alcohol) 1
-NH2 1
=C< (ring) 4
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 3-amino-2,5-dichloro-, methyl ester. Benzoic acid, 3-amino-2,5-dichloro-. 3-Amino-2,5-dichlorobenzoic acid, N-dimethylaminomethylene-, methyl ester. 3-Amino-2,5-dichlorobenzoic acid, N-dimethylaminomethylene-, ethyl ester. Benzoic acid, 2,5-dichloro-. 2-Amino-6-chlorobenzoic acid. Benzoic acid, 4-amino-2-chloro-. 3-Amino-4-chlorobenzoic acid. 2-Chloro-5-nitrobenzoic acid. 2,3,6-Trichlorobenzoic acid. 2-Chloro-3,5-dinitrobenzoic acid. Ethyl-2,5-dichlorobenzoate. 1(4H)-pyridineacetic acid, 3,5-dichloro-4-oxo-. Benzoic acid, 2,3,6-trichloro-, methyl ester. Benzoic acid, 4-amino-2-chloro-, 2-(diethylamino)ethyl ester.

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