CAS 10493-44-4 4-Bromo-1,1,2-trifluorobut-1-ene (HCID 66333)

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Basic information

CAS: 10493-44-4
Standard SMILES: FC(F)=C(F)CCBr
InChIKey: GQCQMFYIFUDARF-UHFFFAOYSA-N
Molecular formula: C4H4BrF3
Average molar mass: 188.97 g/mol
Monoisotopic mass: 187.94484689

Names & identifiers

Preferred name: 4-Bromo-1,1,2-trifluorobut-1-ene
IUPAC: 4-bromo-1,1,2-trifluorobut-1-ene
English name: 4-Bromo-1,1,2-trifluoro-1-butene
Molecular formula: C4H4BrF3
Molecular weight: 188.97

Names & synonyms

4-Bromo-1,1,2-trifluoro-1-butene10493-44-44-Bromo-1,1,2-trifluorobut-1-ene4-Bromo-1,1,2-trifluorobutene-11-Butene, 4-bromo-1,1,2-trifluoro-MFCD00039274Q79PK8P9BW1,1,2-trifluoro-4-bromobuteneEINECS 234-019-2UNII-Q79PK8P9BWSCHEMBL519264-bromo-1,1,2-trifluorobutene

Show more names

uorobutene-13,4,4-TrifluoroJACS-10493-44-4TIMTEC-BB SBB0066044-Bromo-1,1,2-trifLbromotrifluorobutene4-Bromo-1,1,2-trifluorobutene.1,1,2-Trifluoro-4-bromo-1-butene

GQCQMFYIFUDARF-UHFFFAOYSA-DTXSID201468383,4,4-trifluoro-3-butenyl bromide3,4,4-trifluorobut-3-enyl bromide1-bromo-3,4,4-trifluoro-3-buteneSBB006604AKOS0057628583,4,4-Trifluorobut-3-en-1-yl bromide

Database identifiers

CAS: 10493-44-4
PubChem CID: 66333
DTXSID: DTXSID20146838
UNII: Q79PK8P9BW
EC Number: 234-019-2
Nikkaji: J28.339H

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 95.5

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 95 · 95-98 °C (lit.)
Density: 1.639 g/mL · 1.639 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.401(lit.)
Flash point: 63 °F · 63 °F
storage temp.: Flammables area
form: liquid
color: Clear, faint lime
Water Solubility: Not miscible or difficult to mix in water.
Sensitive: Light Sensitive
BRN: 1840755 · 1840755
InChI: InChI=1S/C4H4BrF3/c5-2-1-3(6)4(7)8/h1-2H2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA strong eye irritant; [Alfa Aesar MSDS] See Hexafluoropropylene. See 1,1,2,3-Tetrachloropropene.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29037990
risk_code: 11-20/21/22-36/37-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
hazard_note: Highly Flammable/Irritant
safety_code: 16-26-36-37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
target organs

Chemistry & industry

Applications · 3 items

Uses4-Bromo-1,1,2-trifluoro-1-butene is used in organic synthesis, chemical research and pharmaceuticals.

Uses4-Bromo-1,1,2-trifluoro-1-butene may be used in the preparation of 1,1,2-trifluoro-1-butene, via reaction with KOH in the presence of phase-transfer catalyst, tetrabutylammonium bromide.

General Description4-Bromo-1,1,2-trifluoro-1-butene is a fluorinated building block. It reacts with potassium hydroxide in the presence of tetrabutylammonium bromide (a phase transfer catalyst) to afford 1,1,2-trifluoro-1,3-butadiene.