Chemical Properties of 2-Chloro-3,5-dinitrobenzoic acid (CAS 2497-91-8)

2-Chloro-3,5-dinitrobenzoic acid

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InChI
InChI=1S/C7H3ClN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12)
InChI Key
ADTKEYLCJYYHHH-UHFFFAOYSA-N
Formula
C7H3ClN2O6
SMILES
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl
Molecular Weight1
246.56
CAS
2497-91-8
Other Names
  • Benzoic acid, 2-chloro-3,5-dinitro-
Sources

Physical Properties

Property Value Unit Source
Δf -114.99 kJ/mol Joback Calculated Property
Δfgas -287.76 kJ/mol Joback Calculated Property
Δfus 39.37 kJ/mol Joback Calculated Property
Δvap 96.43 kJ/mol Joback Calculated Property
logPoct/wat 1.85 Crippen Calculated Property
Pc 4678.49 kPa Joback Calculated Property
Tboil 513.70 K NIST
Tc 1142.93 K Joback Calculated Property
Tfus 660.52 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 349.36 J/mol×K 888.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 1
=CH- (ring) 2
-NO2 2
=C< (ring) 4
>C=O (nonring) 1
-OH (alcohol) 1

Similar Compounds

2-Chloro-5-nitrobenzoic acid. Benzoic acid, 4-chloro-3-nitro-. Benzoic acid, 3,5-dinitro-. 2,6-Dichloro-3-nitrotoluene. 3-Amino-5-nitrobenzoic acid. Benzoic acid, 3-amino-2,5-dichloro-. Methyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro-,silver salt. Benzoic acid, 3,5-dinitro, 3-butenyl ester. 2-Butoxyethyl 3,5-dinitrobenzoate. (Z)-Hex-3-enyl 3,5-dinitrobenzoate. (E)-Hex-3-enyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, allyl ester. Ethyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 4-pentenyl ester.

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