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494348

Sigma-Aldrich

1-Bromo-4-methylpentane

97%

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About This Item

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

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

Related Categories

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H302,H319

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

494348-5G:
494348-VAR:
494348-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCC4074
MKBL2529V
MKAA3745
03930EH
00802AA

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Maria E Amato et al.
Molecules (Basel, Switzerland), 15(3), 1442-1452 (2010-03-26)
A novel chiral macrocyclic ligand incorporating a chiral salen moiety into a framework containing two biphenyl units was synthesized. Structural properties and conformational aspects of the free ligand and an UO2 complex were studied by using NMR spectroscopy in solution
E Takano et al.
The Journal of biological chemistry, 275(15), 11010-11016 (2001-02-07)
Early stationary phase culture supernatants of Streptomyces coelicolor A3(2) contained at least four small diffusible signaling molecules that could elicit precocious antibiotic synthesis in the producing strain. The compounds were not detected in exponentially growing cultures. One of these compounds
Vibrational analysis of alkyl bromides: Part III. Branched-chain bromides: 1-bromo-3-methylbutane and 1-bromo-4-methylpentane.
Crowder GA and Jalilian MR.
Journal of Molecular Structure, 42, 71-76 (1977)
Néstor M Carballeira et al.
Chemistry and physics of lipids, 145(1), 37-44 (2006-11-28)
The first total syntheses for the (Z)-15-methyl-10-hexadecenoic acid and the (Z)-13-methyl-8-tetradecenoic acid were accomplished in seven steps and in 31-32% overall yields. The (trimethylsilyl)acetylene was the key reagent in both syntheses. It is proposed that the best synthetic strategy towards
Joshua R Brown et al.
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The treatment of tuberculosis is becoming more difficult due to the ever increasing prevalence of drug resistance. Thus, it is imperative that novel anti-tuberculosis agents, with unique mechanisms of action, be discovered and developed. The direct anti-tubercular testing of a
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