所有图片(1)
别名:
1-(溴甲基)-2,3,5,6-四氟-4-(三氟甲基)苯, 4-(三氟甲基)-2,3,5,6-四氟苄基溴
线性分子式:
CF3C6F4CH2Br
CAS号:
分子量:
310.99
Beilstein:
8423469
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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蒸汽压
0.38 psi ( 20 °C)
检测方案
98%
形式
liquid
折射率
n20/D 1.448 (lit.)
密度
1.864 g/mL at 25 °C (lit.)
SMILES字符串
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
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一般描述
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.
应用
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.
警示用语：
Danger
危险声明
危险分类
Eye Dam. 1 - Skin Corr. 1B
WGK
WGK 3
闪点(°F)
210.2 °F
闪点(°C)
99 °C
个人防护装备
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
法规信息
新产品
M Saha et al.
Journal of chromatography, 641(2), 400-404 (1993-07-09)
4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide (TTBB) was synthesized in a single step from alpha,alpha,alpha,2,3,5,6-heptafluoro-p-xylene. The purpose of TTBB is to function as an analogue of pentafluorobenzyl bromide (PFBB) in electrophoric derivatization reactions prior to detection by gas chromatography-electron-capture negative ion mass spectrometry (GC-ECNI-MS).
A Ranasinghe et al.
Chemical research in toxicology, 11(5), 520-526 (1998-06-20)
The analytical potential of gas chromatography/electron capture negative chemical ionization high-resolution mass spectrometry (HRMS) for characterization and quantitation of DNA and hemoglobin adducts was demonstrated using three model compounds: N2, 3-ethenoguanine (EG), 7-(2-hydroxyethyl)guanine (7-HEG), and N-(2-hydroxyethyl)valine (HEV). At a resolving
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