1,2-Dibromo-1-chloro-1,2,2-trifluoroethane
Basic information
- CAS
354-51-8- Standard SMILES
FC(F)(Br)C(F)(Cl)Br- InChIKey
OVZATIUQXBLIQT-UHFFFAOYSA-N- Molecular formula
- C2Br2ClF3
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 273.80073654
Names & identifiers
- Preferred name
- 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane
- IUPAC
- 1,2-dibromo-1-chloro-1,2,2-trifluoroethane
- English name
- 1,2-Dibromo-1-chloro-1,2,2-trifluoroethane
- Molecular formula
- C2Br2ClF3
- Molecular weight
- 276.28
Names & synonyms
354-51-81,2-Dibromo-1-chloro-1,2,2-trifluoroethane1-Chloro-1,2-dibromo-1,2,2-trifluoroethane1,2-Dibromo-1-chlorotrifluoroethane1-chloro-1,2-dibromotrifluoroethane2-Chloro-1,2-dibromo-1,1,2-trifluoroethaneFreon 113B21,2-DibromochlorotrifluoroethaneC2Br2ClF31,2-DibromotrifluorochloroethaneMFCD00039316ETHANE, 1,2-DIBROMO-1-CHLORO-1,2,2-TRIFLUORO-
Show more names
1,2-dibromo-2-chloro-1,1,2-trifluoroethaneR113b2αβfreon113b2FLON-113B-2CFC-1132alphaAE
1,2-dibromo-1-chloro-1,2,2-trifluoro-ethaneQ8J8KH1911NSC-379421EINECS 206-562-5NSC 379421BRN 1740345UNII-Q8J8KH1911NSC379421
Database identifiers
- CAS
354-51-8- PubChem CID
- 9634
- DTXSID
DTXSID60861891- UNII
- Q8J8KH1911
- EC Number
- 206-562-5
- Nikkaji
- J28.335E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 97.3
Physicochemical properties
- Melting point
- -72 · -72,9°C
- Boiling point
- 93 · 93-94°C
- Density
- 2 · 2,248 g/cm3
- refractive index
- 1.4275 · 1.4275
- form
- liquid
- Specific Gravity
- 2.2478 · 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 · 354-51-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 J8KH1911 · Q8J8KH1911
- NIST Chemistry Reference
- 1 · 1-Chloro-1,2-dibromo-1,2,2-trifluoro ethane(354-51-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (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 information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- rtecs
- KH9300000
- hs_code
- 2903780090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses1,2-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.
Upstream & downstream products
Downstream products
Related reactions
19 records
Compound notes
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