Chemical Properties of Urea, 1,1'-(2,3,5,6-tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso]- (CAS 13907-60-3)

Urea, 1,1'-(2,3,5,6-tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso]-

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InChI
InChI=1S/C16H22Cl2N6O4/c1-9-10(2)14(20-16(26)24(22-28)8-6-18)12(4)11(3)13(9)19-15(25)23(21-27)7-5-17/h5-8H2,1-4H3,(H,19,25)(H,20,26)
InChI Key
HNZDDWZBVSBOPL-UHFFFAOYSA-N
Formula
C16H22Cl2N6O4
SMILES
Cc1c(C)c(NC(=O)N(CCCl)N=O)c(C)c(C)c1NC(=O)N(CCCl)N=O
Molecular Weight1
433.29
CAS
13907-60-3
Sources

Physical Properties

Property Value Unit Source
Δfgas -545.41 kJ/mol Joback Calculated Property
Δvap 114.21 kJ/mol Joback Calculated Property
logPoct/wat 4.43 Crippen Calculated Property
Pc 1652.46 kPa Joback Calculated Property
Tboil 1051.68 K Joback Calculated Property
Tc 1287.59 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 4
-N= 2
-CH2- 4
=C< (ring) 6
>N- 2
-Cl 2
>NH 2
=O 2
>C=O (nonring) 2

Similar Compounds

Benzoic acid, 4-[3-(2-chloroethyl)-3-nitrosoureido]-3,5-dimethyl-. Urea, 1,1'-p-phenylenebis[3-(2-chloroethyl)-3-nitroso-. [4-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)phenyl]acetic acid. Urea, 1-(2-chloroethyl)-1-nitroso-3-phenyl-. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-1-nitroso-. Urea, 1,1'-p-phenylenebis[3-(2-hydroxyethyl)-3-nitroso-. Urea, 1,1'-p-phenylenebis[3-(2-fluoroethyl)-3-nitroso-. Acetic acid, [p-[3-(2-chloroethyl)-3-nitrosoureido]phenylthio]-. 2-Methylbenzene-1,4-diamine, N1,N3,N3-triacetyl-. Benzoic acid, m-[3-(2-chloroethyl)ureido]-. N,N'-(2-Methyl-1,4-phenylene)bis(N-acetylacetamide). Benzoic acid, p-(3-methyl-3-nitrosoureido)-. Urea], 1,1'-p-phenylene-bis[3-methyl-3-nitroso-. 2-Methylbenzene-1,4-diamine, tris(trifluoroacetyl)-, isomer 2. 2-Methylbenzene-1,4-diamine, tris(trifluoroacetyl)-, isomer 1.

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