Synonym: 1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene; 4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide
CAS Number: 76437-40-6
Empirical Formula (Hill Notation): C8H2BrF7
Molecular Weight: 310.99
MDL Number: MFCD00191855
Linear Formula: CF3C6F4CH2Br
Product Type: Chemical
assay |
98% |
density |
1.864 g/mL at 25 °C (lit.) |
form |
liquid |
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 |
Quality Level |
200 ![External link](https://krackeler.com/images/sigma/ext-link.gif) |
refractive index |
n20/D 1.448 (lit.) |
SMILES string |
Fc1c(F)c(c(F)c(F)c1CBr)C(F)(F)F |
vapor pressure |
0.38 psi ( 20 °C) |
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. |
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. |
Packaging: |
1 g in glass bottle |
Symbol |
GHS05 |
Signal word |
Danger |
Hazard statements |
H314 |
Precautionary statements |
P280 - P305 + P351 + P338 - P310 |
Hazard Codes |
C |
Risk Statements |
34 |
Safety Statements |
26-36/37/39-45 |
RIDADR |
UN 3265 8 / PGII |
WGK Germany |
WGK 3 |
Flash Point(F) |
210.2 °F - closed cup |
Flash Point(C) |
99 °C - closed cup |
Purity |
98% |
Density |
1.864 g/mL at 25 °C (lit.) |
Refractive Index |
n20/D 1.448 (lit.) |
UNSPSC |
12352100 |