CAS 2567-14-8 1,1,3-Trichloropropene (HCID 17378)

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Basic information

CAS: 2567-14-8
Standard SMILES: ClCC=C(Cl)Cl
InChIKey: JFEVIPGMXQNRRF-UHFFFAOYSA-N
Molecular formula: C3H3Cl3
Average molar mass: 145.41 g/mol
Monoisotopic mass: 143.930033

Names & identifiers

Preferred name: 1,1,3-Trichloropropene
IUPAC: 1,1,3-trichloroprop-1-ene
English name: 1,1,3-Trichloropropene
Molecular formula: C3H3Cl3
Molecular weight: 145.41

Names & synonyms

1,1,3-TRICHLOROPROPENE2567-14-81,1,3-Trichloro-1-propene3,3-Dichloroallyl chloride1-Propene, 1,1,3-trichloro-Propene, 1,1,3-trichloro-BRN 1738076D17VR5IUWKEINECS 219-903-81,3,3-Trichloro-2-propeneDTXSID00739584-01-00-00748 (Beilstein Handbook Reference)

Show more names

1,1,3-trichloropylene1,1,3-trichloro-1-propen3,3-dichloroallylchloride

TRICHLOROPROPENE, 1,1,3-RefChem:409646DTXCID6037356219-903-81,1,3-trichloroprop-1-ene1-Propene,1,1,3-trichloro-MFCD00013259113-Trichloropropene

Database identifiers

CAS: 2567-14-8
PubChem CID: 17378
DTXSID: DTXSID0073958
ChEMBL: CHEMBL160390
UNII: D17VR5IUWK
EC Number: 219-903-8
Nikkaji: J101.377G

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 53

Experimental & physicochemical properties

Kovats Retention Index840

Physicochemical properties

Melting point: -30 °C · -30°C (estimate)
Boiling point: 131.55 °C · 131.55°C
Density: 1.367 · 1.3670 (estimate)
refractive index: 1.4895 · 1.4895 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
solubility: Chloroform (Soluble), Hexanes (Slightly)
form: liquid
color: Clear
FDA UNII: 17 VR5IUWK · D17VR5IUWK
EPA Substance Registry System: 1 · 1-Propene, 1,1,3-trichloro- (2567-14-8)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H302+H312+H332-H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: 1-Propene, 1,1,3-trichloro-

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (97.6%)；Eye Irrit. 2 (100%)

Regulatory information

Regulatory InformationChemical: 1-Propene, 1,1,3-trichloro-

Safety data

ridadr: 1993
hs_code: 2903290000
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_class: 3.2
packing_group

Chemistry & industry

Applications

Uses1,1,3-Trichloro-1-propene is an intermediate in synthesizing Trichloropropene Oxide (T773885), which is an epoxide hydratase inhibitor and possess potential carcinogenic properties.