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Substance Name: 4'-Chloropropiophenone
RN: 6285-05-8
UNII: 26AY8WJA1E
InChIKey: ADCYRBXQAJXJTD-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-Cl-O

Molecular Weight

  • 168.622
 
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Names and Synonyms

Name of Substance

  • 4'-Chloropropiophenone

Synonyms

  • 4'-Chloropropiophenone
  • 4-07-00-00683 (Beilstein Handbook Reference)
  • AI3-23870
  • BRN 1100638
  • EINECS 228-511-6
  • Ethyl p-chlorophenyl ketone
  • NSC 5600
  • p-Chloropropiophenone
  • Propiophenone, p-chloro-
  • UNII-26AY8WJA1E
  • USAF EK-5296

Systematic Names

  • 1-Propanone, 1-(4-chlorophenyl)-
  • 4'-Chloropropiophenone
  • Propiophenone, 4'-chloro-

Registry Numbers

CAS Registry Number

  • 6285-05-8

FDA UNII

  • 26AY8WJA1E

System Generated Number

  • 0006285058

Structure Descriptors

InChI

1S/C9H9ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChIKey

ADCYRBXQAJXJTD-UHFFFAOYSA-N

Smiles

c1(ccc(Cl)cc1)C(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04477,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 37.3 deg C   EXP
log P (octanol-water) 2.810 (none)   EST
Atmospheric OH Rate Constant 2.48E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.