253928

1-Bromo-4-tert-butylbenzene

97%

• Linear Formula: (CH₃)₃CC₆H₄Br
• CAS Number: 3972-65-4
• Molecular Weight: 213.11
• Beilstein/REAXYS Number: 1859117
• EC Number: 223-599-2
• MDL number: MFCD00000108
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855340
• NACRES: NA.22

Properties

• Quality Level: 200
• 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

Description

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).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319
• pcodes: P302 + P352 - P305 + P351 + P338
• 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