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Substance Name: 4-Chlorobenzaldehyde
RN: 104-88-1
UNII: E67727UP9Z
InChIKey: AVPYQKSLYISFPO-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-Cl-O

Molecular Weight

  • 140.5685
 
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Names and Synonyms

Name of Substance

  • 4-Chlorobenzaldehyde

Synonyms

  • 4-Chlorobenzaldehyde
  • 4-Chlorobenzenaldehyde
  • AI3-52280
  • CCRIS 857
  • EC 203-247-4
  • EINECS 203-247-4
  • NSC 2078
  • p-Chlorobenzaldehyde
  • p-Chlorobenzenecarboxaldehyde
  • UNII-E67727UP9Z

Systematic Names

  • 4-Chlorobenzaldehyde
  • Benzaldehyde, 4-chloro-
  • Benzaldehyde, p-chloro-
  • p-Chlorobenzaldehyde

Superlist Names

  • Benzaldehyde, 4-chloro-
  • p-Chlorobenzaldehyde

Registry Numbers

CAS Registry Number

  • 104-88-1

FDA UNII

  • E67727UP9Z

System Generated Number

  • 0000104881

Structure Descriptors

InChI

1S/C7H5ClO/c8-7-3-1-6(5-9)2-4-7/h1-5H

InChIKey

AVPYQKSLYISFPO-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)Cl)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1400mg/kg (1400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(2), Pg. 50, 1987.
rat LC inhalation > 473mg/m3/4H (473mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(2), Pg. 50, 1987.
rat LD50 oral 1575mg/kg (1575mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(2), Pg. 50, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 47.5 deg C   EXP
Boiling Point 213.5 deg C   EXP
log P (octanol-water) 2.1 (none)   EXP
Water Solubility 1340 mg/L 25 EST
Vapor Pressure 0.183 mm Hg 25 EST
Henry's Law Constant 9.95E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.73E-11 cm3/molecule-sec 25 EST

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