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About This Item
Linear Formula:
(CH3)2CH(CH2)3Br
CAS Number:
Molecular Weight:
165.07
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
97%
refractive index
n20/D 1.446 (lit.)
bp
146 °C (lit.)
density
1.134 g/mL at 25 °C (lit.)
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
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 PC,PH, 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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
73.4 °F
Flash Point(C)
23 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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