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Substance Name: 3-Chloro-2-methylprop-1-ene
RN: 563-47-3
UNII: 7A9X1C3I3O
InChIKey: OHXAOPZTJOUYKM-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-Cl

Molecular Weight

  • 90.5523
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Human Data
  • Insecticide
  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reasonably Anticipated to be a Carcinogen

Names and Synonyms

Name of Substance

  • 3-Chloro-2-methylprop-1-ene
  • 3-Chloro-2-methylpropene

Synonyms

  • 1-Chloro-2-methyl-2-propene
  • 2-Methallyl chloride
  • 2-Methyl-2-propenyl chloride
  • 2-Methyl-allylchlorid
  • 2-Methyl-allylchlorid [German]
  • 2-Methylallyl chloride
  • 3-Chlor-2-methyl-prop-1-en
  • 3-Chlor-2-methyl-prop-1-en [German]
  • 3-Chloro-2-methyl-1-propene
  • 3-Chloro-2-methylpropene
  • 3-Chloro-2-methylpropene (IUPAC)
  • 3-Chloroisobutylene
  • 3-Cloro-2-metil-prop-1-ene
  • 3-Cloro-2-metil-prop-1-ene [Italian]
  • 4-01-00-00803 (Beilstein Handbook Reference)
  • AI3-14901
  • beta-Methylallyl chloride
  • BRN 0878160
  • CCRIS 869
  • Chlorue de methallyle
  • Chlorue de methallyle [French]
  • Chlorure de methallyle
  • Chlorure de methallyle [French]
  • Cloruro di metallile
  • Cloruro di metallile [Italian]
  • EINECS 209-251-2
  • gamma-Chloroisobutylene
  • HSDB 1149
  • Isobutenyl chloride
  • MAC
  • Methallyl chloride
  • NCI-C54820
  • NSC 7303
  • Propene, 3-chloro-2-methyl-
  • UNII-7A9X1C3I3O

Systematic Names

  • 1-Propene, 3-chloro-2-methyl-
  • 3-Chloro-2-methylpropene
  • Propene, 3-chloro-2-methyl-

Superlist Names

  • 1-Propene, 3-chloro-2-methyl-
  • 3-Chloro-2-methyl-1-propene
  • 3-Chloro-2-methylpropene
  • Methallyl chloride
  • Methyl allyl chloride
  • Methyl allyl chloride [UN2554] [Flammable liquid]
  • Propene, 3-chloro-2-methyl-
  • UN2554

Registry Numbers

CAS Registry Number

  • 563-47-3

FDA UNII

  • 7A9X1C3I3O

System Generated Number

  • 0000563473

Structure Descriptors

InChI

1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3

InChIKey

OHXAOPZTJOUYKM-UHFFFAOYSA-N

Smiles

C(CCl)(C)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human LCLo inhalation 22000ppm/10M (22000ppm)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 377, 1969.
mouse LDLo oral 3160mg/kg (3160mg/kg) LIVER: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES

BLOOD: CHANGES IN SPLEEN
National Toxicology Program Technical Report Series. Vol. NTP-TR-300, Pg. 1986,
rat LC50 inhalation 34gm/m3/30M (34000mg/m3)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 7, Pg. 35, 1975.
rat LD50 oral 848mg/kg (848mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: TREMOR

BLOOD: HEMORRHAGE
National Technical Information Service. Vol. OTS0539687,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 71.5 deg C   EXP
log P (octanol-water) 2.480 (none)   EST
Water Solubility 1400 mg/L 25 EXP
Vapor Pressure 102 mm Hg 20 EXP
Henry's Law Constant 8.70E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.96E-11 cm3/molecule-sec 25 EST

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