Chemical Properties of Benzamide, 2,5-dichloro-n-cyanomethyl-3-nitro- (CAS 22978-18-3)

Benzamide, 2,5-dichloro-n-cyanomethyl-3-nitro-

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InChI
InChI=1S/C9H5Cl2N3O3/c10-5-3-6(9(15)13-2-1-12)8(11)7(4-5)14(16)17/h3-4H,2H2,(H,13,15)
InChI Key
SCHAPWDTKXLDEP-UHFFFAOYSA-N
Formula
C9H5Cl2N3O3
SMILES
N#CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1Cl
Molecular Weight1
274.06
CAS
22978-18-3
Sources

Physical Properties

Property Value Unit Source
Δf 213.76 kJ/mol Joback Calculated Property
Δfgas 36.56 kJ/mol Joback Calculated Property
Δfus 39.90 kJ/mol Joback Calculated Property
Δvap 88.91 kJ/mol Joback Calculated Property
logPoct/wat 2.15 Crippen Calculated Property
Pc 3062.55 kPa Joback Calculated Property
Tboil 879.76 K Joback Calculated Property
Tc 1137.44 K Joback Calculated Property
Tfus 626.20 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 405.46 J/mol×K 879.76 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-Cl 2
=CH- (ring) 2
-NO2 1
=C< (ring) 4
-CH2- 1
>NH 1
>C=O (nonring) 1

Similar Compounds

Benzamide, 2,5-dichloro-n-cyanomethyl-n-ethyl-3-nitro-. Benzamide, 2-chloro-n-cyanomethyl-n-cyclopropyl-4-nitro-. Benzamide, 2-chloro-n-(cyanomethyl)-4-nitro-n-propyl-. Benzamide, 2-chloro-n-(cyanoethyl)-n-methyl-4-nitro-. Benzamide, 2-chloro-n-(cyanomethyl)-n-cyclohexyl-4-nitro-. 4-Chloro-3-nitrobenzanilide. Benzamide, 2-chloro-n-cyanomethyl-4-nitro-n-phenyl-. 2-Chloro-3,5-dinitrobenzoic acid. 2-Chloro-4-nitrobenzhydrazide. Aklomide. 4-Nitro-phthalimide. 3-NO2-C6H4CON(CH3)2. Bis-(2,4,6-trichloro-3-nitro-5-methyl-benzene). 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydroindolo[2,3-c]-quinazo-[3,2-a]-pyridine tartrate sesquihydrate. Nalbuphine, O,O,O-tris(trimethylsilyl) deriv..

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