3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid

CAS Registry Number®

5977-35-5

CAS Name

3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid

Molecular Formula

C12H15Cl2NO2

Molecular Mass

276.16

Cite this Page

3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5977-35-5 (retrieved 2025-01-03) (CAS RN: 5977-35-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H15Cl2NO2/c1-9-2-3-10(12(16)17)8-11(9)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)

InChIKey

InChIKey=DKROWFJGHDLNFQ-UHFFFAOYSA-N

SMILES

N(CCCl)(CCCl)C1=CC(C(O)=O)=CC=C1C

Canonical SMILES

O=C(O)C1=CC=C(C(=C1)N(CCCl)CCCl)C

Other Names for this Substance

  • Benzoic acid, 3-[bis(2-chloroethyl)amino]-4-methyl-
  • p-Toluic acid, 3-[bis(2-chloroethyl)amino]-
  • 3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid
  • 3-[N,N-Bis(2-chloroethyl)amino]-p-toluic acid
  • 3-[N,N-Bis(2-chloroethyl)amino]-4-methylbenzoic acid

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