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About This Item
Linear Formula:
BrC6H4CH(CH3)OH
CAS Number:
Molecular Weight:
201.06
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
Assay
97%
form
solid
bp
119-121 °C/7 mmHg (lit.)
mp
36-38 °C (lit.)
density
1.46 g/mL at 25 °C (lit.)
SMILES string
CC(O)c1ccc(Br)cc1
InChI
1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChI key
XTDTYSBVMBQIBT-UHFFFAOYSA-N
Application
4-Bromo-α-methylbenzyl alcohol was used in the synthesis of 3-(4-(1-(tert-butyl)dimethylsilyloxy)ethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine and (1-(4-bromophenyl)ethoxy)(tert-butyl)dimethylsilane.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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S Shaukat Husain et al.
Journal of medicinal chemistry, 53(17), 6432-6444 (2010-08-14)
We synthesized the R- and S-enantiomers of ethyl 1-(1-(4-(3-((trifluoromethyl)-3H-diazirin-3-yl)phenyl)ethyl)-1H-imidazole-5-carboxylate (trifluoromethyldiazirinyl-etomidate), or TFD-etomidate, a novel photoactivable derivative of the stereoselective general anesthetic etomidate (R-(2-ethyl 1-(phenylethyl)-1H-imidazole-5-carboxylate)). Anesthetic potency was similar to etomidate's, but stereoselectivity was reversed and attenuated. Relative to etomidate, TFD-etomidate
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