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B59497

Sigma-Aldrich

1-Bromobutane

ReagentPlus®, 99%

Synonym(s):

Butyl bromide

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About This Item

Linear Formula:
CH3(CH2)3Br
CAS Number:
Molecular Weight:
137.02
Beilstein:
1098260
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.21

vapor density

4.7 (vs air)

Quality Level

vapor pressure

150 mmHg ( 50 °C)
40 mmHg ( 25 °C)

product line

ReagentPlus®

Assay

99%

form

liquid

autoignition temp.

509 °F

expl. lim.

2.8-6.6 %, 100 °F

refractive index

n20/D 1.439 (lit.)

bp

100-104 °C (lit.)

mp

−112 °C (lit.)

density

1.276 g/mL at 25 °C (lit.)

SMILES string

CCCCBr

InChI

1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3

InChI key

MPPPKRYCTPRNTB-UHFFFAOYSA-N

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General description

1-Bromobutane, an alkyl halide, is an alkylating agent. Its rotational constants, nuclear quadrupole constants and centrifugal distortion constants have been stated based on microwave spectral data. The rate coefficient for the reaction of 1-bromobutane with hydrogen atoms has been reported to be 2.4±1.2x1010cm3mol-1s-1.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Classifications

Aquatic Chronic 2 - Carc. 2 - Flam. Liq. 2 - Repr. 1B - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

Target Organs

Liver, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

50.0 °F - closed cup

Flash Point(C)

10 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Rate coefficients for the reactions of hydrogen atoms with 1-bromopropane, 2-bromopropane, 1-bromobutane, and 2-bromobutane.
Meinike T, et al.
International Journal of Chemical Kinetics, 30(10), 721-727 (1998)
Francesco Giganti et al.
Radiology, 276(2), 444-452 (2015-03-31)
To prospectively investigate the role of apparent diffusion coefficient (ADC) calculated from diffusion-weighted magnetic resonance (MR) imaging as a potential prognostic biomarker in the evaluation of the aggressiveness of gastric cancer. This prospective study had institutional review board approval. Informed
Thomas J Wood et al.
Chemical communications (Cambridge, England), 48(82), 10201-10203 (2012-09-11)
Highly ion-conducting poly(ionic liquid) thin films have been prepared in the absence of solvents utilizing a simple 2-step approach comprising pulsed plasmachemical deposition of 1-allylimidazole followed by vapour-phase quaternization with 1-bromobutane.
Martin Hesseler et al.
Applied microbiology and biotechnology, 91(4), 1049-1060 (2011-05-24)
A haloalkane dehalogenase (DppA) from Plesiocystis pacifica SIR-1 was identified by sequence comparison in the NCBI database, cloned, functionally expressed in Escherichia coli, purified, and biochemically characterized. The three-dimensional (3D) structure was determined by X-ray crystallography and has been refined
Josélia Larger Manfio et al.
Journal of AOAC International, 92(5), 1366-1372 (2009-11-18)
A sensitive and specific LC/MS/MS method was developed and validated for the determination of scopolamine butylbromide in human plasma. Scopolamine butylbromide and propanolol (internal standard) were extracted from the plasma by liquid-liquid extraction with dichloromethane as the extraction solvent and

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