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Substance Name: 4-Bis(2-chloroethyl)aminobenzaldehyde
RN: 1208-03-3
InChIKey: PXUFHXLGUJLBMI-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C11-H13-Cl2-N-O

Molecular Weight

  • 246.136
 
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Names and Synonyms

Name of Substance

  • 4-Bis(2-chloroethyl)aminobenzaldehyde

Synonyms

  • 3-14-00-00072 (Beilstein Handbook Reference)
  • 4-(Bis(2-chloroethyl)amino)benzaldehyde
  • 4-(N,N-Bis(2-chloroethyl)amino)benzaldehyde
  • AI3-31986
  • BRN 0477933
  • NSC 19996
  • p-Bis(beta-chloroethyl)aminobenzaldehyde

Systematic Names

  • Benzaldehyde, 4-(bis(2-chloroethyl)amino)-
  • Benzaldehyde, p-(bis(2-chloroethyl)amino)-

Registry Numbers

CAS Registry Number

  • 1208-03-3

System Generated Number

  • 0001208033

Structure Descriptors

InChI

1S/C11H13Cl2NO/c12-5-7-14(8-6-13)11-3-1-10(9-15)2-4-11/h1-4,9H,5-8H2

InChIKey

PXUFHXLGUJLBMI-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)ccc(C=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 512mg/kg (512mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.
rat LD50 intraperitoneal 401mg/kg (401mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.