ChemicalBook--->CAS DataBase List--->431-34-5

431-34-5

431-34-5 Structure

431-34-5 Structure
IdentificationBack Directory
[Name]

3-BROMO-1,1,1-TRIFLUORO-2-PROPANOL
[CAS]

431-34-5
[Synonyms]

3-BROMO-1,1,1-TRIFLUORO-2-PROPANOL
3-BROMO-1,1,1-TRIFLUOROPROPAN-2-OL
2-Propanol, 3-bromo-1,1,1-trifluoro-
3-Bromo-1,1,1-trifluoropropanol, 97%
3-Bromo-1,1,1-trifluoro-2-propanol
[Molecular Formula]

C3H4BrF3O
[MDL Number]

MFCD00040945
[MOL File]

431-34-5.mol
[Molecular Weight]

192.96
Chemical PropertiesBack Directory
[Boiling point ]

124.5 °C743 mm Hg(lit.)
[density ]

1.861 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.4(lit.)
[Fp ]

110 °F
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[form ]

liquid
[pka]

11.11±0.20(Predicted)
[color ]

Clear, very pale yellow
[BRN ]

1737803
[InChI]

InChI=1S/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H2
[InChIKey]

VBHIIZIQRDVGDH-UHFFFAOYSA-N
[SMILES]

C(F)(F)(F)C(O)CBr
Safety DataBack Directory
[Hazard Codes ]

Xi,F
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[RIDADR ]

UN 1987 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29055900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

3-Bromo-1,1,1-trifluoro-2-propanol is used in preparation of halomethyl ketones and hydrates as fungicides.
[General Description]

3-Bromo-1,1,1-trifluoro-2-propanol (3-bromo-1,1,1-trifluoropropan-2-ol, BTFP) is a brominated saturated alcohol. It behaves as a thiol-reactive trifluoromethyl probe. Its effective chemical shift dispersion under conditions of varying polarity has been studied. The photodissociation dynamics of BTFP has been investigated by various methods.
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-1,1,1-TRIFLUORO-2-PROPANOL(431-34-5)1HNMR
3-BROMO-1,1,1-TRIFLUORO-2-PROPANOL(431-34-5)13CNMR
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