1,2-Dibromo-1-chloro-1,2,2-trifluoroethane

HCID 9634CAS 354-51-8

Substructure search Find similar structures

Basic information

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 Å²
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
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
RTECS: 9300000 · KH9300000
HazardClass: IRRITANT
HS Code: 2903780090 · 2903780090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.