1-Bromo-4-tert-butylbenzene

ALDRICH/253928 - 97%

CAS Number: 3972-65-4
Empirical Formula (Hill Notation): C₁₀H₁₃Br
Molecular Weight: 213.11
EC Number: 223-599-2
MDL Number: MFCD00000108
Linear Formula: (CH₃)₃CC₆H₄Br
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-253928-25G	25 g	$67.10 1/EA		Add To Favorites
45-253928-100G	100 g	$142.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	80-81 °C/2 mmHg (lit.)
density	1.229 g/mL at 25 °C (lit.)
form	liquid
functional group	bromo
InChI	1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChI key	XHCAGOVGSDHHNP-UHFFFAOYSA-N
mp	13-16 °C (lit.)
Quality Level	200
refractive index	n20/D 1.533 (lit.)
SMILES string	CC(C)(C)c1ccc(Br)cc1

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).
General description:	1-Bromo-4-tert-butylbenzene undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.
Packaging:	25, 100 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H315 - H319
Precautionary statements	P302 + P352 - P305 + P351 + P338
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	206.6 °F
Flash Point(C)	97 °C

Purity	97%
bp	80-81 °C/2 mmHg (lit.)
mp	13-16 °C (lit.)
Density	1.229 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.533 (lit.)
UNSPSC	12352100

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