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626-88-0 Structure

626-88-0 Structure

Identification	More
[Name] 1-Bromo-4-methylpentane
[CAS] 626-88-0
[Synonyms] 1-BROMO-4-METHYLPENTANE 4-METHYLPENTYL BROMIDE 1-bromo-4-methyl-pentan Br(CH2)3CH(CH3)2 Bromomethylpentane Isopentylmethyl bromide NSC 159166
[EINECS(EC#)] 210-968-8
[Molecular Formula] C6H13Br
[MDL Number] MFCD00013544
[Molecular Weight] 165.07
[MOL File] 626-88-0.mol

Chemical Properties	Back Directory
[Melting point ] -44.22°C (estimate)
[Boiling point ] 146 °C (lit.)
[density ] 1.134 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.446(lit.)
[Fp ] 112 °F
[storage temp. ] 2-8°C
[form ] clear liquid
[color ] Colorless to Almost colorless
[InChI] 1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3
[InChIKey] XZKFBZOAIGFZSU-UHFFFAOYSA-N
[SMILES] CC(C)CCCBr
[CAS DataBase Reference] 626-88-0(CAS DataBase Reference)
[NIST Chemistry Reference] Pentane, 1-bromo-4-methyl-(626-88-0)
[EPA Substance Registry System] 626-88-0(EPA Substance)

Safety Data	Back Directory
[Hazard Codes ] Xn,N
[Risk Statements ] R10:Flammable.
[Safety Statements ] S16:Keep away from sources of ignition-No smoking . S36:Wear suitable protective clothing .
[RIDADR ] UN 1993 3/PG 3
[WGK Germany ] 3
[TSCA ] TSCA listed
[HS Code ] 2903.39.1550
[HazardClass ] 3
[PackingGroup ] III
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 3

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 1-Bromo-4-methylpentane(626-88-0).msds

Hazard Information	Back Directory
[Uses] 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
[Synthesis Reference(s)] Tetrahedron, 40, p. 641, 1984 DOI: 10.1016/S0040-4020(01)91092-0
[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.

Spectrum Detail	Back Directory
[Spectrum Detail] 1-Bromo-4-methylpentane(626-88-0)MS 1-Bromo-4-methylpentane(626-88-0)¹HNMR 1-Bromo-4-methylpentane(626-88-0)¹³CNMR 1-Bromo-4-methylpentane(626-88-0)IR1 1-Bromo-4-methylpentane(626-88-0)Raman

Well-known Reagent Company Product Information	Back Directory
[Sigma Aldrich] 626-88-0(sigmaaldrich)
[TCI AMERICA] 1-Bromo-4-methylpentane,>98.0%(GC)(626-88-0)

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