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Substance Name: 1-Chloro-2-methyl-1-propene
RN: 513-37-1
UNII: JP8N4M44OP
InChIKey: KWISWUFGPUHDRY-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-Cl

Molecular Weight

  • 90.5523
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen
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Names and Synonyms

Name of Substance

  • 1-Chloro-2-methyl-1-propene
  • 1-Chloro-2-methylpropene

Synonyms

  • 1-Chloro-2-methyl-1-propene
  • 1-Chloro-2-methylpropene
  • 1-Chloro-2-methylpropene (IUPAC)
  • 1-Chloroisobutylene
  • 1-Propene, 1-chloro-2-methyl-
  • 2,2-Dimethylvinyl chloride
  • 2-Methyl-1-chloropropene
  • 2-Methyl-1-propenyl chloride
  • 4-01-00-00803 (Beilstein Handbook Reference)
  • alpha-Chloroisobutylene
  • beta, beta-Dimethylvinyl chloride
  • beta,beta-Dimethylvinyl chloride
  • BRN 1733843
  • CCRIS 1002
  • Dimethylvinyl chloride
  • Dimethylvinylchloride
  • EINECS 208-158-4
  • HSDB 2928
  • Isocrotyl chloride
  • NCI-C54819
  • Propene, 1-chloro-2-methyl-
  • UNII-JP8N4M44OP

Systematic Names

  • 1-Chloro-2-methylpropene
  • 1-Propene, 1-chloro-2-methyl-
  • 2,2-Dimethylvinyl chloride
  • Propene, 1-chloro-2-methyl-

Superlist Names

  • 1-Chloro-2-methylpropene
  • Dimethylvinyl chloride

Registry Numbers

CAS Registry Number

  • 513-37-1

FDA UNII

  • JP8N4M44OP

System Generated Number

  • 0000513371

Structure Descriptors

InChI

1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3

InChIKey

KWISWUFGPUHDRY-UHFFFAOYSA-N

Smiles

C(=C\Cl)(\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 181gm/m3 (181000mg/m3) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
University of California, Berkeley, Publications in Pharmacology. Vol. 2, Pg. 39, 1941.
mouse LD50 oral 3160mg/kg (3160mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Toxicology Program Technical Report Series. Vol. NTP-TR-316, Pg. 1986,
rat LC50 inhalation 400mg/m3/4H (400mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 112, 1986.
rat LD50 oral 4465mg/kg (4465mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Toxicology Program Technical Report Series. Vol. NTP-TR-316, Pg. 1986,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 68 deg C   EXP
log P (octanol-water) 2.580 (none)   EST
Water Solubility 1000 mg/L 25 EXP
Vapor Pressure 212 mm Hg 25 EST
Henry's Law Constant 0.109 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.85E-11 cm3/molecule-sec 25 EST

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