Chemical Properties of Benzoic acid, 3-chloro-4-nitro- (CAS 39608-47-4)

Benzoic acid, 3-chloro-4-nitro-

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InChI
InChI=1S/C7H4ClNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key
TZPGGFYKIOBMCN-UHFFFAOYSA-N
Formula
C7H4ClNO4
SMILES
O=C(O)c1ccc([N+](=O)[O-])c(Cl)c1
Molecular Weight1
201.56
CAS
39608-47-4
Other Names
  • 3-Chloro-4-nitrobenzoic acid
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 183.50 ± 1.50 K NIST
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
-NO2 1
=C< (ring) 3
>C=O (nonring) 1
-OH (alcohol) 1

Similar Compounds

1(4H)-pyridineacetic acid, 3,5-dichloro-4-oxo-. Benzoic acid, 4-nitro-. Benzoic acid, 4-chloro-3-nitro-. Methyl 2-chloro-4-nitrobenzoate. Methyl p-nitro benzoate. Benzoic acid, 4-nitro-, methyl ester. Benzoic acid, (4-chloro-3-nitrophenyl)methyl ester. 4-Chloro-3-nitrobenzaldehyde. Benzoic acid, 4-nitro, 3-butenyl ester. Benzoic acid, 4-nitro, allyl ester. P-nitrobenzoic acid, n-propyl ester. Ethyl 4-nitrobenzoate. 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester. 4-Nitrobenzoic acid, 4-chlorophenyl ester. P-nitrobenzoic acid, isobutyl ester.

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