1-Bromo-4-tert-butylbenzene , 97% , 3972-65-4

CAS NO.：3972-65-4

Empirical Formula: C10H13Br

Molecular Weight: 213.11

MDL number: MFCD00000108

EINECS: 223-599-2

PRODUCT Properties

• Melting point: 13-16 °C(lit.)
• Boiling point: 80-81 °C2 mm Hg(lit.)
• Density: 1.229 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.533(lit.)
• Flash point: 97 °C
• storage temp.: Sealed in dry,Room Temperature
• form: Liquid
• color: Clear colorless to slightly yellow
• Specific Gravity: 1.229
• Water Solubility: Insoluble in water.
• BRN: 1859117
• InChI: InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
• InChIKey: XHCAGOVGSDHHNP-UHFFFAOYSA-N
• SMILES: C1(Br)=CC=C(C(C)(C)C)C=C1
• CAS DataBase Reference: 3972-65-4(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-bromo-4-(1,1-dimethylethyl)-(3972-65-4)

Description and Uses

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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 23-24/25-37/39-26
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29036990