Chemical Properties of 3-Amino-5-nitrobenzoic acid (CAS 618-84-8)

3-Amino-5-nitrobenzoic acid

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InChI
InChI=1S/C7H6N2O4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,8H2,(H,10,11)
InChI Key
ZNVHAQRPXAQKRU-UHFFFAOYSA-N
Formula
C7H6N2O4
SMILES
Nc1cc(C(=O)O)cc([N+](=O)[O-])c1
Molecular Weight1
182.13
CAS
618-84-8
Other Names
  • Benzoic acid, 3-amino-5-nitro-
Sources

Physical Properties

Property Value Unit Source
Δf -62.53 kJ/mol Joback Calculated Property
Δfgas -216.00 kJ/mol Joback Calculated Property
Δfus 29.39 kJ/mol Joback Calculated Property
Δvap 85.43 kJ/mol Joback Calculated Property
logPoct/wat 0.88 Crippen Calculated Property
Pc 5367.04 kPa Joback Calculated Property
Tboil 766.62 K Joback Calculated Property
Tc 1006.55 K Joback Calculated Property
Tfus 557.73 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 313.02 J/mol×K 766.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 3
-OH (alcohol) 1
-NH2 1
=C< (ring) 3
>C=O (nonring) 1
-NO2 1

Similar Compounds

Benzoic acid, 3,5-dinitro-. Benzoic acid, 3,5-dinitro-,silver salt. Methyl 3,5-dinitrobenzoate. Benzoic acid, 3-nitro-. Ethyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, allyl ester. 3-O2N-C6H4-COOCH3. Benzoic acid, 3,5-dinitro, 2-propynyl ester. Ethylene glycol bis(3,5-dinitrobenzoate). 2-Chloroethyl 3,5-dinitrobenzoate. 2-Ethoxyethyl 3,5-dinitrobenzoate. Benzoic acid, 4-amino-3-nitro-. 2-(2-Methoxyethoxy)ethyl 3,5-dinitrobenzoate. 2-(2-Ethoxyethoxy)ethyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 2-methylpropyl ester.

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