Chemical Properties of 5-Chloro-2-nitrobenzoic acid (CAS 2516-95-2)

5-Chloro-2-nitrobenzoic acid

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InChI
InChI=1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key
ZKUYSJHXBFFGPU-UHFFFAOYSA-N
Formula
C7H4ClNO4
SMILES
O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]
Molecular Weight1
201.56
CAS
2516-95-2
Other Names
  • Benzoic acid, 5-chloro-2-nitro-
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
-NO2 1
=C< (ring) 3
>C=O (nonring) 1
-OH (alcohol) 1

Similar Compounds

Benzoic acid, 2-nitro-. 4-Chloro-2-nitrobenzoic acid. Benzoic acid, 2-nitro-, methyl ester. Benzoic acid, 3-methyl-2-nitro-. 3-Methyl-6-nitrobenzoic acid. Benzoic acid, (5-chloro-2-nitrophenyl)methyl ester. Ethyl 2-nitrobenzoate. Trimethylsilyl 2-nitrobenzate. Benzoic acid, 2,5-dinitro-. 2-Methyl-6-nitrobenzoic acid. Acetophenone, 5'-chloro-2'-nitro-. Acetic acid, (5-chloro-2-nitrophenyl)methyl ester. 5-Chloro-2-nitrobenzyl alcohol, bromomethyldimethylsilyl ether. 5-Chloro-2-nitrobenzyl alcohol, chloromethyldimethylsilyl ether. tert-Butyldimethylsilyl 2-nitrobenzoate.

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