Chemical Properties of Urea, 1,1'-p-phenylenebis[3-(2-chloroethyl)-3-nitroso- (CAS 13907-59-0)

Urea, 1,1'-p-phenylenebis[3-(2-chloroethyl)-3-nitroso-

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InChI
InChI=1S/C12H14Cl2N6O4/c13-5-7-19(17-23)11(21)15-9-1-2-10(4-3-9)16-12(22)20(18-24)8-6-14/h1-4H,5-8H2,(H,15,21)(H,16,22)
InChI Key
PCLGVSQVYVGFSH-UHFFFAOYSA-N
Formula
C12H14Cl2N6O4
SMILES
O=NN(CCCl)C(=O)Nc1ccc(NC(=O)N(CCCl)N=O)cc1
Molecular Weight1
377.18
CAS
13907-59-0
Sources

Physical Properties

Property Value Unit Source
Δfgas -416.97 kJ/mol Joback Calculated Property
Δvap 102.66 kJ/mol Joback Calculated Property
logPoct/wat 3.19 Crippen Calculated Property
Pc 2460.47 kPa Joback Calculated Property
Tboil 940.24 K Joback Calculated Property
Tc 1159.34 K Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Urea, 1-(2-chloroethyl)-1-nitroso-3-phenyl-. Urea, 1,1'-p-phenylenebis[3-(2-fluoroethyl)-3-nitroso-. Urea, 1,1'-p-phenylenebis[3-(2-hydroxyethyl)-3-nitroso-. Urea], 1,1'-p-phenylene-bis[3-methyl-3-nitroso-. [4-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)phenyl]acetic acid. Acetic acid, [p-[3-(2-chloroethyl)-3-nitrosoureido]phenylthio]-. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-1-nitroso-. Urea, 3-(p-fluorophenyl)-1-methyl-1-nitroso-. Urea, 1,1'-(2,3,5,6-tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso]-. Urea, 3-(p-methoxyphenyl)-1-methyl-1-nitroso-. Benzoic acid, 4-[3-(2-chloroethyl)-3-nitrosoureido]-3,5-dimethyl-. Benzoic acid, p-(3-methyl-3-nitrosoureido)-. N-Ethyl-N'-phenylurea. Urea, 1-(2-chloroethyl)-3-(p-methoxyphenyl)-. Urea), 1,1'-p-phenylenebis-(3-methyl-.

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