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34958

Sigma-Aldrich

1-Chlorobutane

suitable for HPLC, ≥99.8%

Synonym(s):

Butyl chloride

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About This Item

Linear Formula:
CH3(CH2)3Cl
CAS Number:
Molecular Weight:
92.57
Beilstein:
1730909
EC Number:
MDL number:
UNSPSC Code:
41116105
PubChem Substance ID:
NACRES:
NA.04

vapor density

3.2 (vs air)

vapor pressure

80.1 mmHg ( 78.4 °C)

Assay

≥99.8%

form

liquid

autoignition temp.

860 °F

expl. lim.

10.1 %

technique(s)

HPLC: suitable

impurities

≤0.0002% free alkali (as NH3)
≤0.001% free acid (as HCl)
≤0.001% non-volatile matter
≤0.01% water (Karl Fischer)

transmittance

230 nm, ≥65%
240 nm, ≥95%
250 nm, ≥98%

refractive index

n20/D 1.402 (lit.)

bp

77-78 °C (lit.)

mp

−123 °C (lit.)

density

0.886 g/mL at 25 °C (lit.)

application(s)

food and beverages

SMILES string

CCCCCl

InChI

1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

InChI key

VFWCMGCRMGJXDK-UHFFFAOYSA-N

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General description

1-Chlorobutane is an alkyl halide. It undergoes reaction with nanocrystalline MgO at 200-350°C to afford butane isomers and MgCl2, via dehydrochlorination.

Application

1-Chlorobutane may be used in the synthesis of ionic liquids, 1-butyl-3-methylimidazolium hydrogen sulfate ([Bmim]+[HSO4]-) and 1-butyl-3-methylimidazolium dihydrogen phosphate ([Bmim]+[H2PO4]-).

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Pictograms

FlameHealth hazard

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

10.4 °F - closed cup

Flash Point(C)

-12 °C - closed cup


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Mannich reaction using acidic ionic liquids as catalysts and solvents.
Zhao G, et al.
Green Chemistry, 6(2), 75-77 (2004)
Changes in texture and catalytic activity of nanocrystalline MgO during its transformation to MgCl2 in the reaction with 1-chlorobutane.
Fenelonov VB, et al.
The Journal of Physical Chemistry B, 105(18), 3937-3941 (2001)
A Lewandowicz et al.
Journal of the American Chemical Society, 123(19), 4550-4555 (2001-07-18)
We have found chlorine kinetic isotope effects on the dehalogenation catalyzed by haloalkane dehalogenase from Xanthobacter autotrophicus GJ10 to be 1.0045 +/- 0.0004 for 1,2-dichloroethane and 1.0066 +/- 0.0004 for 1-chlorobutane. The latter isotope effect approaches the intrinsic chlorine kinetic
M E Alburges et al.
Journal of analytical toxicology, 19(6), 381-386 (1995-10-01)
Ibogaine, an indolamine derivative, is currently being investigated as a potential agent in the treatment of stimulant and opiate addiction. We developed a rapid, sensitive, and specific method for the analysis of ibogaine and its putative active metabolite, 12-hydroxy-ibogamine (12-OH-ibogamine).
J M Czuczwa et al.
Journal - Association of Official Analytical Chemists, 72(5), 752-759 (1989-09-01)
A gel permeation chromatographic (GPC) method, used by the U.S. Environmental Protection Agency (USEPA), was modified for cleanup of soil, sediments, wastes, and oily wastes before determination of semivolatile organic pollutants. The modifications included new calibration procedures and control of

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