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Substance Name: 2-Propanol, 1-chloro-
RN: 127-00-4
UNII: ZL0FUS96WW
InChIKey: YYTSGNJTASLUOY-UHFFFAOYSA-N

Molecular Formula

  • C3-H7-Cl-O

Molecular Weight

  • 94.5403
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • TWA (1 ppm); Not classifiable as a human carcinogen; Skin
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Names and Synonyms

Name of Substance

  • 1-Chloro-2-propanol
  • 2-Propanol, 1-chloro-
  • sec-Propylene chlorohydrin

Synonyms

  • 1-Chloro-2-hydroxypropane
  • 1-Chloro-2-propanol
  • 1-Chloroisopropyl alcohol
  • 4-01-00-01490 (Beilstein Handbook Reference)
  • BRN 0773653
  • CCRIS 4766
  • Chloroisopropyl alcohol
  • EINECS 204-819-6
  • HSDB 1341
  • NSC 77373
  • Propene chlorohydrin
  • sec-Propylene chlorohydrin
  • UNII-ZL0FUS96WW

Systematic Names

  • 1-Chloropropan-2-ol
  • 2-Propanol, 1-chloro-

Superlist Names

  • 1-Chloro-2-propanol
  • 1-Cloro-2-propanol, technical
  • 2-Propanol, 1-chloro-

Registry Numbers

CAS Registry Number

  • 127-00-4

FDA UNII

  • ZL0FUS96WW

Other Registry Number

  • 20008-07-5

System Generated Number

  • 0000127004

Structure Descriptors

InChI

1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3

InChIKey

YYTSGNJTASLUOY-UHFFFAOYSA-N

Smiles

C([C@@H](C)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 200mg/kg (200mg/kg)   National Toxicology Program Technical Report Series. Vol. NTP-TR-477, Pg. 1998,
guinea pig LD50 oral 720mg/kg (720mg/kg) BEHAVIORAL: GENERAL ANESTHETIC National Toxicology Program Technical Report Series. Vol. NTP-TR-477, Pg. 1998,
rat LC50 inhalation 1000ppm/4H (1000ppm)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 517, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 127 deg C   EXP
log P (octanol-water) 0.530 (none)   EST
Water Solubility 1.38E+05 mg/L 25 EST
Vapor Pressure 4.9 mm Hg 20 EXP
Henry's Law Constant 1.67E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.19E-12 cm3/molecule-sec 25 EST

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