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Substance Name: Chlorocyclohexane
RN: 542-18-7
UNII: PNV8C821FH
InChIKey: UNFUYWDGSFDHCW-UHFFFAOYSA-N

Molecular Formula

  • C6-H11-Cl

Molecular Weight

  • 118.606
 
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Names and Synonyms

Name of Substance

  • Chlorocyclohexane
  • Cyclohexyl chloride

Synonyms

  • 4-05-00-00048 (Beilstein Handbook Reference)
  • AI3-23841
  • BRN 1900796
  • Chlorocyclohexane
  • Cyclohexyl chloride
  • EC 208-806-6
  • EINECS 208-806-6
  • HSDB 2801
  • Monochlorocyclohexane
  • NSC 8434
  • UNII-PNV8C821FH

Systematic Names

  • Chlorocyclohexane
  • Cyclohexane, chloro-

Superlist Names

  • Cyclohexane, chloro-
  • Cyclohexyl chloride

Registry Numbers

CAS Registry Number

  • 542-18-7

FDA UNII

  • PNV8C821FH

System Generated Number

  • 0000542187

Structure Descriptors

InChI

1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2

InChIKey

UNFUYWDGSFDHCW-UHFFFAOYSA-N

Smiles

C1(CCCCC1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 31gm/m3/2H (31000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 36, 1982.
rat LCLo inhalation 40gm/m3/2H (40000mg/m3) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(1), Pg. 49, 1966.
rat LD50 unreported 3gm/kg (3000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 27(6), Pg. 24, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.40E+01 deg C   EXP
Boiling Point 142 deg C   EXP
log P (octanol-water) 3.360 (none)   EST
Water Solubility 500 mg/L 25 EXP
Henry's Law Constant 0.015 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.18E-12 cm3/molecule-sec 25 EST

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