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Merck
CN

B59497

1-Bromobutane

99%, liquid, ReagentPlus®

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
NACRES:
NA.21
PubChem Substance ID:
24891882
UNSPSC Code:
12352100
EC Number:
203-691-9
MDL number:
MFCD00000260
Beilstein/REAXYS Number:
1098260

Key Documents

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Product Name

1-Bromobutane, ReagentPlus®, 99%

InChI key

MPPPKRYCTPRNTB-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCBr

vapor density

4.7 (vs air)

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.)

functional group

alkyl halide
bromo

Quality Level

200

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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

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
SDBB5876
SDBB4444
STBL3442
MKCV7841
STBL0337

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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.
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
Congbo Cai et al.
Journal of magnetic resonance (San Diego, Calif. : 1997), 211(2), 162-169 (2011-06-15)
Recently, a method based on intermolecular multiple quantum coherences (iMQCs) has been proposed to obtain high-resolution 2D COSY spectra in inhomogeneous fields via 3D acquisitions. However, the very long acquisition time prevents its practical application. To overcome this shortage, the
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