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Merck
CN

08953

1-Bromobutane

analytical standard

Synonym(s):

Butyl bromide

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About This Item

Linear Formula:
CH3(CH2)3Br
CAS Number:
109-65-9
Molecular Weight:
137.02
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329748647
EC Number:
203-691-9
Beilstein/REAXYS Number:
1098260
MDL number:
MFCD00000260

Key Documents

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Product Name

1-Bromobutane, analytical standard

InChI key

MPPPKRYCTPRNTB-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCBr

grade

analytical standard

vapor density

4.7 (vs air)

vapor pressure

150 mmHg ( 50 °C)
40 mmHg ( 25 °C)

assay

≥99.5% (GC)

autoignition temp.

509 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

2.8-6.6 %, 100 °F

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.439 (lit.)
n20/D 1.440

bp

100-104 °C (lit.)

mp

−112 °C (lit.)

density

1.276 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

Quality Level

100

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Application

1-Bromobutane may be used as a derivatization reagent for multiple functional groups (amino, carboxyl, and phenolic hydroxyl groups) of amino acids to improve hydrophobicities and basicities of the amino acids. It may also be used as an internal standard for the quantification of 1- and 2-bromopropane in human urine by headspace gas chromatography.

General description

1-Bromobutane, an organobromine compound, is a commonly used industrial solvent for cleaning, extraction and chemical synthesis.

signalword

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

3 - Flammable liquids

wgk

WGK 2

flash_point_f

50.0 °F - closed cup

flash_point_c

10 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCL7366
BCCK5613
BCCF7439
BCCD4011
BCBW7313

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Development of a headspace gas chromatographic test for the quantification of 1-and 2-bromopropane in human urine
B?Hymer C and Cheever KL
Journal of Chromatography. B, Biomedical Sciences and Applications, 814(1), 185-189 (2005)
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
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
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.
Christina Lederle et al.
The Journal of chemical physics, 134(6), 064512-064512 (2011-02-17)
Mixtures of the monohydroxy alcohol n-butanol with n-bromobutane are investigated via dielectric and nuclear magnetic resonance (NMR) techniques. Static- and pulsed-field gradient proton NMR yielded self-diffusion coefficients as a function of concentration and temperature. To monitor reorientational motions, broadband dielectric
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