Chemical Properties of Benzoic acid, 3-fluoro-4-nitro- (CAS 403-21-4)

Benzoic acid, 3-fluoro-4-nitro-

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InChI
InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key
WVZBIQSKLXJFNX-UHFFFAOYSA-N
Formula
C7H4FNO4
SMILES
O=C(O)c1ccc([N+](=O)[O-])c(F)c1
Molecular Weight1
185.11
CAS
403-21-4
Sources

Physical Properties

Property Value Unit Source
Δf -323.79 kJ/mol Joback Calculated Property
Δfgas -445.90 kJ/mol Joback Calculated Property
Δfus 27.28 kJ/mol Joback Calculated Property
Δvap 73.97 kJ/mol Joback Calculated Property
logPoct/wat 1.43 Crippen Calculated Property
Pc 4646.65 kPa Joback Calculated Property
Tboil 693.36 K Joback Calculated Property
Tc 918.05 K Joback Calculated Property
Tfus 475.06 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 274.47 J/mol×K 693.36 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2,5-difluoro-4-nitro. 3-FLUORO-4-NITROTOLUENE. 4-Amino-3-fluorobenzoic acid. Benzoic acid, 4-nitro-. 4-Fluoro-3-nitrobenzoic acid. Benzoic acid, (4-fluoro-3-nitrophenyl)methyl ester. Methyl p-nitro benzoate. Benzoic acid, 4-nitro-, methyl ester. Ethyl 4-nitrobenzoate. Benzoic acid, 4-nitro-, phenylmethyl ester. Benzoic acid, 4-nitro, allyl ester. Toluene, 3-fluoro-4,6-dinitro-. Ethanol, 2-chloro, 4-nitrobenzoate. Benzoic acid, 4-nitro-, 1-methylethyl ester. Benzoic acid, 4-nitro, 2-propynyl ester.

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