HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,2-Dibromo-1-chloro-1,2,2-trifluoroethane
1,2-dibromo-2-chloro-1,1,2-trifluoroethane · R113b2αβ · freon113b2 · Freon 113B2 · FLON-113B-2 · CFC-1132alphaAE · 1,2-Dibromotrifluorochloroethane · 1,2-Dibromochlorotrifluoroethane
Identifiers & Physical Properties
| CAS No. | 354-51-8 |
|---|---|
| Molecular formula | C2Br2ClF3 |
| Average molar mass | 276.28 g/mol |
| Monoisotopic mass | 273.80073654 g/mol |
| SMILES | FC(F)(Br)C(F)(Cl)Br |
| InChIKey | OVZATIUQXBLIQT-UHFFFAOYSA-N |
| PubChem CID | 9634 |
| EC No. | 206-562-5 |
| DTXSID | DTXSID60861891 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 97.3 |
| Melting point | -72,9°C |
| Boiling point | 93-94°C |
| Density | 2,248 g/cm3 |
| Refractive index | 1.4275 |
| Physical state | liquid |
| Specific gravity | 2.2478 |
| Color | colorless |
| InChI | InChI=1S/C2Br2ClF3/c3-1(5,6)2(4,7)8 |
| InChIKey | OVZATIUQXBLIQT-UHFFFAOYSA-N |
| SMILES | C(Br)(Cl)(F)C(Br)(F)F |
| CAS DataBase Reference | 354-51-8(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | Q8J8KH1911 |
| NIST Chemistry Reference | 1-Chloro-1,2-dibromo-1,2,2-trifluoro ethane(354-51-8) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| RTECS number | KH9300000 |
| Hazard class | IRRITANT |
| Customs code | 2903780090 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| RTECS number | KH9300000 |
| Customs code | 2903780090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
1,2-Dibromo-1-chloro-1,2,2-trifluoroethane (BCTFE) is an important fluorine-containing organic intermediate that can be used in pesticides, medicines, materials and other fields.