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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/REAXYS Number:
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

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk_germany

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)
Antonio García Martínez et al.
The Journal of organic chemistry, 70(25), 10238-10246 (2005-12-06)
[structure: see text] The activation energy in the gas phase (deltaE(double dagger)) and the free energy of activation (deltaG(double dagger)) in water solution for the hydrolysis of the monohydrates of methyl chloride (MeCl), tert-butyl chloride (t-BuCl), and 1-adamantyl chloride (AdCl)
Hazel M Rivera et al.
European journal of mass spectrometry (Chichester, England), 9(6), 599-607 (2004-04-22)
A sensitive and selective high-performance liquid chromatography/atmospheric pressure chemical ionisation tandem mass spectrometry (HPLC/APCI-MS/MS) method for the simultaneous detection of 18 benzodiazepines and metabolites in human blood is described. The procedure utilises butyl chloride extraction at alkaline pH followed by
H Curragh et al.
Microbiology (Reading, England), 140 ( Pt 6), 1433-1442 (1994-06-01)
The bacterium Rhodococcus rhodochrous NCIMB 13064, isolated from an industrial site, could use a wide range of 1-haloalkanes as sole carbon source but apparently utilized several different mechanisms simultaneously for assimilation of substrate. Catabolism of 1-chlorobutane occurred mainly by attack

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