Chemical Properties of Benzoic acid, 4-chloro-3-nitro- (CAS 96-99-1)

Benzoic acid, 4-chloro-3-nitro-

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InChI
InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key
DFXQXFGFOLXAPO-UHFFFAOYSA-N
Formula
C7H4ClNO4
SMILES
O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1
Molecular Weight1
201.56
CAS
96-99-1
Other Names
  • 3-Nitro-4-chlorobenzoic acid
  • 4-Chloro-3-nitrobenzoic acid
  • Kyselina 4-chloro-3-nitrobenzoova
Sources

Physical Properties

Property Value Unit Source
Δf -140.91 kJ/mol Joback Calculated Property
Δfgas -265.53 kJ/mol Joback Calculated Property
Δfus 28.39 kJ/mol Joback Calculated Property
Δvap 79.18 kJ/mol Joback Calculated Property
logPoct/wat 1.95 Crippen Calculated Property
Pc 4697.74 kPa Joback Calculated Property
Tboil 731.52 K Joback Calculated Property
Tc 968.96 K Joback Calculated Property
Tfus 504.39 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 283.94 J/mol×K 731.52 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Chloro-3-nitrobenzaldehyde. Formic acid, (4-chloro-3-nitrophenyl)methyl ester. Benzoic acid, (4-chloro-3-nitrophenyl)methyl ester. Acetic acid, (4-chloro-3-nitrophenyl)methyl ester. Benzoic acid, 3-nitro-. 4-Chloro-3-nitrobenzoyl chloride. Benzene, 1-chloro-4-methyl-2-nitro-. 3-O2N-C6H4-COOCH3. 2-Chloro-5-nitrobenzoic acid. 4-Chloro-3-nitrobenzyl alcohol, (3-cyanopropyl)dimethylsilyl ether. 3-Amino-5-nitrobenzoic acid. Benzoic acid, 3,5-dinitro-. Ethyl 3-nitrobenzoate. 2-Chloro-3,5-dinitrobenzoic acid. Benzoic acid, 4-methyl-3-nitro-.

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