HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Trichloromethyl)oxirane
TRICHLOROPROPANEOXIDE · Trichloroepoxypropane · TRICHLOROPROPYLENEOXIDE · (trichloromethyl)oxirane · Oxirane, 2-(trichloromethyl)- · 3,3,3-TRICHLOROPROPYLENEOXIDE · 1,1,1-TRICHLORO-2,3-EPOXYPROPANE · 1,2-EPOXY-3,3,3-TRICHLOROPROPANE

Identifiers & Physical Properties
| CAS No. | 3083-23-6 |
|---|---|
| Molecular formula | C3H3Cl3O |
| Average molar mass | 161.41 g/mol |
| Monoisotopic mass | 159.924948 g/mol |
| SMILES | ClC(Cl)(Cl)C1CO1 |
| InChIKey | VFEXYZINKMLLAK-UHFFFAOYSA-N |
| PubChem CID | 18321 |
| EC No. | 221-384-8 |
| DTXSID | DTXSID3025251 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 12.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 76 |
| Density | 1.495 at 68 °F (NTP, 1992) - Denser than waterwill sink1.4950 |
| Solubility | less than 0.1 mg/mL at 65.3 °F (NTP, 1992) |
| Flash point | 152 °F (NTP, 1992) |
| Boiling point | 300 °F at 764 mmHg (NTP, 1992)226.05°C (rough estimate) |
| Vapor pressure | 11.6 mmHg at 77 °F28.5 mmHg at 108 °F65.5 mmHg at 149 °F (NTP, 1992)11.6 [mmHg] |
| Physical Description | 1,2-epoxy-3,3,3-trichloropropane is a clear colorless liquid. (NTP, 1992)Clear colorless liquid[CAMEO] |
| Kovats Retention Index | 885 |
| Refractive index | 1.4737 (estimate) |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| CAS DataBase Reference | 3083-23-6 |
| FDA UNII | IQ92Z3552X |
| EPA Substance Registry System | 1,1,1-Trichloro-2,3-epoxypropane (3083-23-6) |
| GHS pictogram | GHS08,GHS07,GHS02 |
| Signal word | Warning |
| GHS hazard statements | H332-H302-H319-H351-H373-H312-H335-H315-H226 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P260-P314-P501 |
| Toxicity | mmo-sat 740 mg/plate APSXAS 17,189,80 |
Safety & Regulations
| GHS classification | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Fire hazards | This chemical is combustible. (NTP, 1992) |
| Health hazards | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992) |
| Hazards summary | Intraperitoneal LD50 (rat) = 142 mg/kg[RTECS] Enhances the tumor initiating ability of some carcinogens[ChemIDplus] Highly flammable and polymerizable[CAMEO] See Epibromohydrin and Epichlorohydrin. |
| Reactive group | Halogenated Organic CompoundsEpoxidesPolymerizable Compounds |
| Reactivity Alerts | Polymerizable |
| Reactivity Profile | Epoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts. |
Applications & Uses
Uses
Trichloropropene Oxide is an epoxide hydratase inhibitor and possess potential carcinogenic properties.
Uses
Trichloropropene Oxide is a epoxide hydratase inhibitor and possess potential carcinogenic properties.
General Description
Clear colorless liquid.