494348

1-Bromo-4-methylpentane

97%

• Linear Formula: (CH₃)₂CH(CH₂)₃Br
• CAS Number: 626-88-0
• Molecular Weight: 165.07
• EC Number: 210-968-8
• MDL number: MFCD00013544
• UNSPSC Code: 12352100
• PubChem Substance ID: 24872894
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• refractive index: n20/D 1.446 (lit.)
• bp: 146 °C (lit.)
• density: 1.134 g/mL at 25 °C (lit.)
• functional group: alkyl halide; bromo
• SMILES string: CC(C)CCCBr
• InChI: 1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3
• InChI key: XZKFBZOAIGFZSU-UHFFFAOYSA-N

Description

General description

1-Bromo-4-methylpentane can be synthesized by treating 4-methyl-1-pentanol with phosphorous tribromide. The conformational analysis of its liquid-state and solid-state IR and Raman spectra and showed the presence of a mixture of P_C,P_H, and P′_H conformers.

Application

1-Bromo-4-methylpentane may be used in the synthesis of:

• diethyl 2-(4′-methylpentyl)malonate
• 1,3-bis(4-(isopentyloxy)phenyl)urea
• 1,3-bis(4-(isopentyloxy)phenyl)thiourea
• 13-methyl-1-[(tetrahydropyran-2-yl)oxy]tetradec-8-yne
• 15-methyl-1-[(tetrahydropyran-2-yl)oxy]hexadec-10-yne
• 3-[2-isohexyloxy-3-(hydroxymethyl]-5-phenyl-2-isohexyloxybenzyl alcohol

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H302,H319
• pcodes: P210 - P233 - P240 - P241 - P301 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 73.4 °F
• flash_point_c: 23 °C
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter