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Substance Name: 3-Chloro-2-chloromethyl-1-propene
RN: 1871-57-4
UNII: 1XTP1GFW2A
InChIKey: XJFZOSUFGSANIF-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-Cl2

Molecular Weight

  • 124.997
 
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Names and Synonyms

Name of Substance

  • 3-Chloro-2-chloromethyl-1-propene

Synonyms

  • 1,3-Dichloro-2-methylenepropane
  • 2-Chloromethyl-3-chloropropene
  • 2-Methylene-1,3-dichloropropane
  • 2-Methylenepropane-1,3-dichloride
  • 3-Chloro-2-(chloromethyl)propene
  • 4-01-00-00805 (Beilstein Handbook Reference)
  • BRN 1560178
  • EINECS 217-489-3
  • NSC 88138
  • UNII-1XTP1GFW2A

Systematic Names

  • 1-Propene, 3-chloro-2-(chloromethyl)-
  • 1-Propene, 3-chloro-2-(chloromethyl)- (9CI)
  • 3-Chloro-2-(chloromethyl)propene
  • Propene, 3-chloro-2-(chloromethyl)-

Registry Numbers

CAS Registry Number

  • 1871-57-4

FDA UNII

  • 1XTP1GFW2A

System Generated Number

  • 0001871574

Structure Descriptors

InChI

1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2

InChIKey

XJFZOSUFGSANIF-UHFFFAOYSA-N

Smiles

C(CCl)(CCl)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 400mg/m3/4H (400mg/m3) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmakologiya i Toksikologiya Vol. 5, Pg. 157, 1970.
mouse LD50 oral 250mg/kg (250mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmakologiya i Toksikologiya Vol. 5, Pg. 157, 1970.
rat LD50 oral 150mg/kg (150mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Farmakologiya i Toksikologiya Vol. 5, Pg. 157, 1970.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.40E+01 deg C   EXP
Boiling Point 138 deg C   EXP
log P (octanol-water) 2.730 (none)   EST
Water Solubility 445 mg/L 25 EST
Vapor Pressure 5.570 mm Hg 25 EST
Henry's Law Constant 0.019 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.35E-11 cm3/molecule-sec 25 EXP

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