Chemical Properties of Benzimidazole, 4-chloro-6-nitro-2-(trifluoromethyl)- (CAS 4228-91-5)

Benzimidazole, 4-chloro-6-nitro-2-(trifluoromethyl)-

InChI
InChI=1S/C8H3ClF3N3O2/c9-4-1-3(15(16)17)2-5-6(4)14-7(13-5)8(10,11)12/h1-2H,(H,13,14)
InChI Key
HNDQGIJHWSTKDW-UHFFFAOYSA-N
Formula
C8H3ClF3N3O2
SMILES
O=[N+]([O-])c1cc(Cl)c2nc(C(F)(F)F)[nH]c2c1
Molecular Weight1
265.58
CAS
4228-91-5
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Physical Properties

Property Value Unit Source
ω 0.6164 Relay (1.0) Calculated Property
ΔfG° -282.43 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -477.78 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 88.64 kJ/mol Relay (1.0) Calculated Property
IE 9.37 eV Relay (1.0) Calculated Property
log10WS -4.48 Relay (1.0) Calculated Property
logPoct/wat 2.661 Crippen Calculated Property
McVol 139.590 ml/mol McGowan Calculated Property
Pc 3134.71 kPa Relay (1.0-beta) Calculated Property
Tboil 566.87 K Relay (1.0) Calculated Property
Tc 878.40 K Relay (1.0) Calculated Property
Tfus 484.68 K Relay (1.0) Calculated Property
Vc 0.513 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Benzimidazole, 4,5-dichloro-6-nitro-2-(trifluoromethyl)-. Benzimidazole, 5-chloro-6-nitro-2-(trifluoromethyl)-. Benzimidazole, 6-chloro-4-nitro-2-(trifluoromethyl)-. Benzimidazole, 4,6-dinitro-2-(trifluoromethyl)-. Benzimidazole, 4,6-dichloro-5-nitro-2-(trifluoromethyl)-. Benzimidazole, 5,6-dinitro-2-(trifluoromethyl)-. Benzimidazole, 4-bromo-6-nitro-2-(trifluoromethyl)-. Benzimidazole, 5-nitro-2-(trifluoromethyl)-. 5-Hydroxytryptophan, methyl, 3-PFP. Serotonin, N-isoBOC, O-TBDMS. nitrofurantoin. Galathan, 1,2,3,12,15,16-hexadehydro-9,10-[methylenebis(oxy)]-. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. Quinine, trimethylsilyl ether.

Find more compounds similar to Benzimidazole, 4-chloro-6-nitro-2-(trifluoromethyl)-.

Sources

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