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406406

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide

98%

Synonym(s):

1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene, 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide

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About This Item

Linear Formula:
CF3C6F4CH2Br
CAS Number:
76437-40-6
Molecular Weight:
310.99
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24865372
MDL number:
MFCD00191855
Beilstein/REAXYS Number:
8423469
Assay:
98%
Form:
liquid
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vapor pressure

0.38 psi ( 20 °C)

assay

98%

form

liquid

refractive index

n20/D 1.448 (lit.)

density

1.864 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

Fc1c(F)c(c(F)c(F)c1CBr)C(F)(F)F

InChI

1S/C8H2BrF7/c9-1-2-4(10)6(12)3(8(14,15)16)7(13)5(2)11/h1H2

InChI key

WKPYRDRWTNJBQI-UHFFFAOYSA-N

General description

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide (4-(trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide) has been reported to be prepared in one step from α,α,α−2,3,5,6-heptafluoro-p-xylene.

Application

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide (4-(trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide, TTBB) may be employed as an alternate of pentafluorobenzyl bromide (PFBB) in electrophoric derivatization reactions prior to detection during gas chromatography-electron-capture negative ion mass spectrometry (GC-ECNI-MS). TTBB may be employed as derivatization reagent for the characterization and quantitation of DNA and hemoglobin adducts.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

210.2 °F - closed cup

flash_point_c

99 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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