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About This Item
Linear Formula:
(CH3)3CC6H4Br
CAS Number:
Molecular Weight:
213.11
Beilstein:
1859117
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
97%
form
liquid
refractive index
n20/D 1.533 (lit.)
bp
80-81 °C/2 mmHg (lit.)
mp
13-16 °C (lit.)
density
1.229 g/mL at 25 °C (lit.)
SMILES string
CC(C)(C)c1ccc(Br)cc1
InChI
1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChI key
XHCAGOVGSDHHNP-UHFFFAOYSA-N
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Related Categories
General description
1-Bromo-4-tert-butylbenzene undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.
Application
1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7).
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
206.6 °F
Flash Point(C)
97 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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