Chemical Properties of 4-Bis(2-chloroethyl)aminobenzaldehyde (CAS 1208-03-3)

4-Bis(2-chloroethyl)aminobenzaldehyde

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InChI
InChI=1S/C11H13Cl2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2
InChI Key
PXUFHXLGUJLBMI-UHFFFAOYSA-N
Formula
C11H13Cl2NO
SMILES
O=Cc1ccc(N(CCCl)CCCl)cc1
Molecular Weight1
246.13
CAS
1208-03-3
Other Names
  • 4-(N,N-Bis(2-chloroethyl)amino)benzaldehyde
  • 4-Aminobenzaldehyde, N,N-di[2-chloroethyl]-
  • Benzaldehyde, 4-(bis(2-chloroethyl)amino)-
  • Benzaldehyde, p-(bis(2-chloroethyl)amino)-
  • p-Bis(2-chloroethyl)aminobenzaldehyde
  • p-Bis(«beta»-chloroethyl)aminobenzaldehyde
  • p-N,N-Bis(2-chloroethyl)aminobenzaldehyde
Sources

Physical Properties

Property Value Unit Source
Δf 131.92 kJ/mol Joback Calculated Property
Δfgas -94.84 kJ/mol Joback Calculated Property
Δfus 31.60 kJ/mol Joback Calculated Property
Δvap 60.55 kJ/mol Joback Calculated Property
logPoct/wat 2.78 Crippen Calculated Property
Pc 2603.08 kPa Joback Calculated Property
Tboil 618.70 K Joback Calculated Property
Tc 831.51 K Joback Calculated Property
Tfus 386.98 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 411.17 J/mol×K 618.7 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 2
=CH- (ring) 4
>N- 1
=C< (ring) 2
-CH2- 4
O=CH- (aldehyde) 1

Similar Compounds

P-([2-chloroethyl]ethylamino)benzaldehyde. Benzaldehyde, 4-(diethylamino)-. P-n,n-bis(2-chloroethyl)aminobenzoic acid. 4-Pyrrolidinobenzaldehyde. 4-N,n-bis(2-chloroethyl)amino-2-tolualdehyde. N,N-Diethyl-p-toluidine. p-Diethylaminoacetophenone. Benzenamine, N,N-bis(2-chloroethyl)-. 4-(Diethylamino)benzoic acid. 4-(Diethylamino)benzonitrile. Benzaldehyde, 4-(dimethylamino)-. Pyrrolidine, 1-(4-methylphenyl). N,N-diethyl-p-ethylaniline. Benzoic acid, 4-(diethylamino)-, methyl ester. Methanone, bis[4-(diethylamino)phenyl]-.

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