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About This Item
Linear Formula:
(CH3)3CC6H4Br
CAS Number:
Molecular Weight:
213.11
Beilstein/REAXYS Number:
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.)
functional group
bromo
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).
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
206.6 °F
flash_point_c
97 °C
ppe
Eyeshields, Gloves
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