1-Bromo-4-tert-butylbenzene, 97%

Description

CAS: 3972-65-4 | C10H13Br | 213.118 g/mol

1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid1, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7). It undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
1-Bromo-4-tert-butylbenzene was used in the synthesis of 4-tert-butyl-phenylboronic acid1, 1-deoxy analogs of CP-47,497 (n = 0 to 7) and 1-deoxy analogs of CP-55,940 (n = 0 to 7). It undergoes lithium-bromide exchange reactions with n-butyllithium and tert-butyllithium at 0°C in various solvents.

Solubility
Insoluble in water.

Notes
Store in cool dry place. Keep away from oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 3972-65-4
• Molecular Formula: C10H13Br
• Molecular Weight (g/mol): 213.118
• MDL Number: MFCD00000108
• InChI Key: XHCAGOVGSDHHNP-UHFFFAOYSA-N
• Synonym: 4-tert-butylbromobenzene, 1-bromo-4-tert-butyl benzene, butylbromobenzene, p-bromo-tert-butylbenzene, 1-bromo-4-t-butylbenzene, 1-bromo-4-1,1-dimethylethyl benzene, 4-tert-butyl-1-bromobenzene, p-bromo-t-butylbenzene, 1-bromo-p-t-butylbenzene, 4-bromo-tert-butylbenzene
• PubChem CID: 77595
• IUPAC Name: 1-bromo-4-tert-butylbenzene
• SMILES: CC(C)(C)C1=CC=C(C=C1)Br

• Melting Point: 15°C to 16°C
• Density: 1.229
• Boiling Point: 231°C to 232°C
• Flash Point: 97°C (206°F)
• Refractive Index: 1.533
• Quantity: 25 g
• Beilstein: 1859117
• Solubility Information: Insoluble in water.
• Formula Weight: 213.12
• Percent Purity: 97%
• Chemical Name or Material: 1-Bromo-4-tert-butylbenzene

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
EINECSNumber	223-599-2
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only