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Substance Name: Benzenepropanoyl chloride
RN: 645-45-4
InChIKey: MFEILWXBDBCWKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-Cl-O

Molecular Weight

  • 168.622
 
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Names and Synonyms

Synonyms

  • 3-Phenylpropanoyl chloride
  • 3-Phenylpropionyl chloride
  • 4-09-00-01762 (Beilstein Handbook Reference)
  • AI3-18968
  • Benzenepropanoyl chloride
  • beta-Phenylpropanoyl chloride
  • beta-Phenylpropionyl chloride
  • BRN 0742586
  • CCRIS 8627
  • Dihydrocinnamoyl chloride
  • EINECS 211-443-6
  • Hydrocinnamyl chloride
  • NSC 2854
  • Propionyl chloride, 3-phenyl-

Systematic Names

  • 3-Phenylpropionyl chloride
  • Benzenepropanoyl chloride
  • Hydrocinnamoyl chloride

Registry Numbers

CAS Registry Number

  • 645-45-4

System Generated Number

  • 0000645454

Structure Descriptors

InChI

1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

MFEILWXBDBCWKF-UHFFFAOYSA-N

Smiles

c1cc(CCC(Cl)=O)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 221, 1954.
rat LC50 inhalation 2750mg/m3/4H (2750mg/m3) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Toxicologist. Vol. 42, Pg. 254, 1998.