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:
Molecular Weight:
310.99
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
8423469
Assay:
98%
Form:
liquid
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.)
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.
signalword
Danger
hcodes
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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