Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Phenol, p-(bis(2-bromoethyl)amino)-, p-(alpha,alpha,alpha-trifluoromethyl)benzoate
RN: 22953-42-0
InChIKey: JJWKNGOUNQRAIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-Br2-F3-N-O2

Molecular Weight

  • 495.131
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Benzoic acid, p-(alpha,alpha,alpha-trifluoromethyl)-, p-(bis(2-bromoethyl)amino)phenyl ester
  • BRN 3070768
  • p-(Bis(2-bromoethyl)amino)phenol p-(alpha,alpha,alpha-trifluoromethyl)benzoate
  • p-(Bis(2-bromoethyl)amino)phenyl p-(alpha,alpha,alpha-trifluoromethyl)benzoate

Systematic Name

  • Phenol, p-(bis(2-bromoethyl)amino)-, p-(alpha,alpha,alpha-trifluoromethyl)benzoate

Registry Numbers

CAS Registry Number

  • 22953-42-0

System Generated Number

  • 0022953420

Structure Descriptors

InChI

1S/C18H16Br2F3NO2/c19-9-11-24(12-10-20)15-5-7-16(8-6-15)26-17(25)13-1-3-14(4-2-13)18(21,22)23/h1-8H,9-12H2

InChIKey

JJWKNGOUNQRAIP-UHFFFAOYSA-N

Smiles

C(c1ccc(C(Oc2ccc(cc2)N(CCBr)CCBr)=O)cc1)(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 491, 1969.