1-Bromopentane

1-Bromopentane Basic information
Product Name:1-Bromopentane
Synonyms:1-Brompentan;1-Pentyl bromide;1-Pentylbromid;1-pentylbromide;Pentane,1-bromo-;1-BROPMOPENTANE;n-Amyl bromide, Pentyl bromide;1-Bromopentane,98%
CAS:110-53-2
MF:C5H11Br
MW:151.04
EINECS:203-776-0
Product Categories:ALKYL BROMIDE;Alkyl Bromides;Monofunctional & alpha,omega-Bifunctional Alkanes;Monofunctional Alkanes;Bromine chemicals;Organics;K00001
Mol File:110-53-2.mol
1-Bromopentane Structure
1-Bromopentane Chemical Properties
Melting point −95 °C(lit.)
Boiling point 130 °C(lit.)
density 1.218 g/mL at 25 °C(lit.)
vapor density >1 (vs air)
refractive index n20/D 1.444(lit.)
Fp 88 °F
storage temp. Flammables area
solubility H2O: insoluble
form Liquid
color Clear colorless to light yellow
Water Solubility practically insoluble
Merck 14,602
BRN 1730981
Stability:Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
InChIKeyYZWKKMVJZFACSU-UHFFFAOYSA-N
CAS DataBase Reference110-53-2(CAS DataBase Reference)
NIST Chemistry ReferencePentane, 1-bromo-(110-53-2)
EPA Substance Registry SystemPentane, 1-bromo- (110-53-2)
Safety Information
Hazard Codes Xi,F,N,Xn
Risk Statements 10-36/37/38-51/53-22
Safety Statements 26-36-61-37/39-29-16
RIDADR UN 1993 3/PG 3
WGK Germany 2
RTECS RZ9770000
Hazard Note Irritant/Flammable
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29033036
ToxicityLD50 ipr-mus: 1250 mg/kg GTPZAB 20(12),52,76
MSDS Information
ProviderLanguage
Amyl bromideEnglish
SigmaAldrichEnglish
ACROSEnglish
ALFAEnglish
1-Bromopentane Usage And Synthesis
Chemical Propertiesliquid
Uses1-Bromopentane is a chemical reagent used in a multitude of organic syntheses. It is used iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling. It is used in the synthesis of α, γ-diketo acids as reversible inhibitors of Hepatitis C virus NS5b RNA polymerase.
Uses1-Bromopentane is used in a multitude of organic synthesis. It is used in iron-catalyzed alkylations of aromatic Grignard reagents via cross coupling.
Synthesis Reference(s)Journal of the American Chemical Society, 86, p. 5037, 1964 DOI: 10.1021/ja01076a084
General Description1-Bromopentane undergoes phase transfer catalysed alkylation reaction with 2′-hydroxy acetophenone using tetrabutyl ammonium bromide as catalyst.
Safety ProfileModerately toxic byintraperitoneal route. Slightly toxic by inhalation. Whenheated to decomposition it emits toxic vapors of Br.
Purification MethodsWash the bromide with conc H2SO4, then water, 10% Na2CO3 solution, again with water, dry with CaCl2 or K2CO3, and fractionally distil it just before use. [Beilstein 1 IV 312.]
1-Bromopentane Preparation Products And Raw materials
Raw materials1-Pentanol–>1-Chloropentane
Preparation Products1-OCTENE–>5-BROMO-2(3H)-BENZOXAZOLONE–>PENTYL ETHER–>TETRAPENTYLAMMONIUM BROMIDE–>PENTYLTRIPHENYLPHOSPHONIUM BROMIDE–>1-PENTANESULFONIC ACID SODIUM SALT MONOHYDRATE–>N-Methylpentylamine–>Sodium pentanesulfonate–>Decane–>dodecane-6,7-dione–>CIS-10-PENTADECENOIC ACID METHYL ESTER (C15:1)–>4-Ethynyl-4′-pentyl-1,1′-biphenyl–>Micafungin Side Chain Methyl Ester–>2-METHYL-2-HEPTANOL–>3-oxo-2-pentylcyclopentaneacetic acid–>4-PENTYLOXYANILINE

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