Trichlorobutene
Basic information
- CAS
13279-84-0- Standard SMILES
C=CCC(Cl)(Cl)Cl- InChIKey
AKQZPPKQVZVYCC-UHFFFAOYSA-N- Molecular formula
- C4H5Cl3
- Average molar mass
- 159.44 g/mol
- Monoisotopic mass
- 157.945683
Overview
Trichlorobutene appears as a colorless liquid. Insoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion.
Names & identifiers
- Preferred name
- Trichlorobutene
- IUPAC
- 4,4,4-trichlorobut-1-ene
- English name
- Trichlorobutene)
- Molecular formula
- C4H5Cl3
- Molecular weight
- 159.44
Names & synonyms
TRICHLOROBUTENEButene, trichloro-51023-22-4TRICHLORBUTYLENERefChem:899222DTXSID1010315064,4,4-trichlorobut-1-ene4,4,4-Trichloro-1-butene13279-84-01-Butene, 4,4,4-trichloro-SCHEMBL1269286SCHEMBL7637398
Show more names
DTXSID00275418AKQZPPKQVZVYCC-UHFFFAOYSA-NDB-246417
Database identifiers
- CAS
13279-84-0、51023-22-4- PubChem CID
- 39864
- DTXSID
DTXSID00275418- Nikkaji
- J88.071J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61.8
Experimental & physicochemical properties
Physical DescriptionTrichlorobutene appears as a colorless liquid. Insoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion.
Physicochemical properties
- Boiling point
- 95 · 95-105 °C(Press: 30 Torr)
- Density
- 1.404 g/cm3 · 1.4040 g/cm3
- EPA Substance Registry System
- Butene, trichloro- (51023-22-4)
- RIDADR
- 2322 · UN 2322
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Butene, trichloro-
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.
DOT ID and Guide2322 152
Reactive GroupHalogenated Organic Compounds
Reactivity ProfileTRICHLOROBUTENE is a halogenated alkene. may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas.
DOT Hazard Classification
Trichlorobutene
Marine pollutant
Trichlorobutene
UN2322
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsInsoluble in water.
Safety & protection
Chemistry & industry
Applications
General DescriptionA colorless liquid. Insoluble in water and less dense than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion.
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Compound notes
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