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ChemicalBook--->CAS DataBase List--->110-53-2

110-53-2

110-53-2 Structure

110-53-2 Structure
IdentificationMore
[Name]

1-Bromopentane
[CAS]

110-53-2
[Synonyms]

1-BROMOPENTANE
AMYL BROMIDE
N-AMYL BROMIDE
N-PENTYL BROMIDE
PENTYL BROMIDE
1-bromo-pentan
1-Brompentan
1-Pentyl bromide
1-Pentylbromid
1-pentylbromide
n-C5H11Br
Pentane,1-bromo-
n-Amyl bromide~n-Pentyl bromide
N-PENTYL BROMIDE/N-AMYL BROMIDE
Amylene bromide
Bromopentane, 1-
1-BROMOPENTANE pure
n-Amyl bromide, Pentyl bromide
[EINECS(EC#)]

203-776-0
[Molecular Formula]

C5H11Br
[MDL Number]

MFCD00000267
[Molecular Weight]

151.04
[MOL File]

110-53-2.mol
Chemical PropertiesBack Directory
[Appearance]

liquid
[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
[Stability:]

Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
[Water Solubility ]

practically insoluble
[Detection Methods]

GC,NMR
[Merck ]

14,602
[BRN ]

1730981
[Dielectric constant]

6.3(10℃)
[InChIKey]

YZWKKMVJZFACSU-UHFFFAOYSA-N
[CAS DataBase Reference]

110-53-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Pentane, 1-bromo-(110-53-2)
[EPA Substance Registry System]

110-53-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,F,N,Xn
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
S29:Do not empty into drains .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

2
[RTECS ]

RZ9770000
[Hazard Note ]

Irritant/Flammable
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29033036
[Toxicity]

LD50 ipr-mus: 1250 mg/kg GTPZAB 20(12),52,76
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Pentanol-->1-Chloropentane
[Preparation Products]

1-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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Amyl bromide(110-53-2).msds
Hazard InformationBack Directory
[Chemical Properties]

liquid
[Uses]

1-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.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 86, p. 5037, 1964 DOI: 10.1021/ja01076a084
[General Description]

1-Bromopentane undergoes phase transfer catalysed alkylation reaction with 2′-hydroxy acetophenone using tetrabutyl ammonium bromide as catalyst.
[Safety Profile]

Moderately toxic byintraperitoneal route. Slightly toxic by inhalation. Whenheated to decomposition it emits toxic vapors of Br-.
[Purification Methods]

Wash 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Bromopentane(110-53-2)MS
1-Bromopentane(110-53-2)1HNMR
1-Bromopentane(110-53-2)13CNMR
1-Bromopentane(110-53-2)IR1
1-Bromopentane(110-53-2)IR2
1-Bromopentane(110-53-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromopentane, 98%(110-53-2)
[Alfa Aesar]

1-Bromopentane, 99%(110-53-2)
[Sigma Aldrich]

110-53-2(sigmaaldrich)
[TCI AMERICA]

1-Bromopentane,>98.0%(GC)(110-53-2)
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