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Substance Name: 1,3-Butadiene, 1,1,2-trichloro-
RN: 2852-07-5
InChIKey: ZFBGKBGUMMBBMY-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H3-Cl3

Molecular Weight

  • 157.4267
 
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Names and Synonyms

Synonyms

  • 1,1,2-Trichloro-1,3-butadiene
  • 1,1,2-Trichlorobutadiene
  • 1,1,2-Trichlorobutadiene-1,3
  • 4-01-00-00986 (Beilstein Handbook Reference)
  • BRN 1741734
  • TCBD
  • Trichlorobutadiene

Systematic Name

  • 1,3-Butadiene, 1,1,2-trichloro-

Registry Numbers

CAS Registry Number

  • 2852-07-5

System Generated Number

  • 0002852075

Structure Descriptors

InChI

1S/C4H3Cl3/c1-2-3(5)4(6)7/h2H,1H2

InChIKey

ZFBGKBGUMMBBMY-UHFFFAOYSA-N

Smiles

C=CC(=C(Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 3300mg/m3 (3300mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 77, 1980.
mouse LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 77, 1980.
rat LC50 inhalation 7000mg/m3 (7000mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 77, 1980.
rat LD50 oral 680mg/kg (680mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 77, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.380 (none)   EST
Water Solubility 92.2 mg/L 25 EST
Vapor Pressure 15.7 mm Hg 25 EST
Henry's Law Constant 0.029 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.76E-12 cm3/molecule-sec 25 EST

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