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476722

Sigma-Aldrich

3-Bromo-1,1,1-trifluoro-2-propanol

96%

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About This Item

Linear Formula:
BrCH2CH(OH)CF3
CAS Number:
431-34-5
Molecular Weight:
192.96
MDL number:
MFCD00040945
UNSPSC Code:
12352100
PubChem Substance ID:
24871297
NACRES:
NA.22

assay

96%

refractive index

n20/D 1.4 (lit.)

bp

124.5 °C/743 mmHg (lit.)

density

1.861 g/mL at 25 °C (lit.)

SMILES string

OC(CBr)C(F)(F)F

InChI

1S/C3H4BrF3O/c4-1-2(8)3(5,6)7/h2,8H,1H2

InChI key

VBHIIZIQRDVGDH-UHFFFAOYSA-N

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.[1] The photodissociation dynamics of BTFP has been investigated by various methods.[2][3][4]

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKBN4706V
MKBF7329V
MKBF7329
10813DH
12004KD

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A comparison of chemical shift sensitivity of trifluoromethyl tags: optimizing resolution in 19F NMR studies of proteins.
Ye L, et al.
Journal of Biomolecular Nmr, 62(1), 97-103 (2015)
Photodissociation dynamics of 3-bromo-1,1,1-trifluoro-2-propanol and 2-(bromomethyl) hexafluoro-2-propanol at 234 nm: Resonance-enhanced multiphoton ionization detection of Br (2Pj).
Indulkar YN, et al.
J. Chem. Phys. , 134(19), 194313-194313 (2011)
The periodically forced conversion of 2, 3-epoxy-1-propanol to glycerine: A theoretical analysis.
Rehmus P, et al.
J. Chem. Phys. , 78(12), 7241-7251 (1983)
Photodissociation of 3-Bromo-1, 1, 1-trifluoro-2-propanol at 193 nm: Laser-Induced Fluorescence Detection of OH (?''= 0, J'').
Indulkar YN, et al.
The Journal of Physical Chemistry A, 113(30), 8462-8470 (2009)

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