Chemical Properties of Bis-(2,4,6-trichloro-3-nitro-5-methyl-benzene) (CAS 6950-45-4)

Bis-(2,4,6-trichloro-3-nitro-5-methyl-benzene)

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InChI
InChI=1S/C14H6Cl6N2O4/c1-3-7(15)5(11(19)13(9(3)17)21(23)24)6-8(16)4(2)10(18)14(12(6)20)22(25)26/h1-2H3
InChI Key
RKMYVKBGFHNXFA-UHFFFAOYSA-N
Formula
C14H6Cl6N2O4
SMILES
Cc1c(Cl)c(-c2c(Cl)c(C)c(Cl)c([N+](=O)[O-])c2Cl)c(Cl)c([N+](=O)[O-])c1Cl
Molecular Weight1
478.93
CAS
6950-45-4
Sources

Physical Properties

Property Value Unit Source
Δf 195.04 kJ/mol Joback Calculated Property
Δfgas -89.89 kJ/mol Joback Calculated Property
Δfus 64.11 kJ/mol Joback Calculated Property
Δvap 117.42 kJ/mol Joback Calculated Property
logPoct/wat 7.707 Crippen Calculated Property
Pc 1978.82 kPa Joback Calculated Property
Tboil 1151.14 K Joback Calculated Property
Tc 1440.18 K Joback Calculated Property
Tfus 892.32 K Joback Calculated Property
Vc 1.062 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 634.07 J/mol×K 1151.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 12
-NO2 2
-Cl 6
-CH3 2

Similar Compounds

Brucine. Cupric trifluoroacetylacetonate. Etorphine. Chlortetracycline hydrochloride. Strychnine. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. Nalmefene, bis(trifluoroacetate). cyclomegistine. Pseudomorphine. Cyanocobalamin. Heptafluorobutyryl-codeine. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv.. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. C31-Aetio-porphyrin, Si-(OTMS)2-derivative. Ergocristin.

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