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Merck

34958

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
UNSPSC Code:
41116105
NACRES:
NA.04
PubChem Substance ID:
EC Number:
203-696-6
Beilstein/REAXYS Number:
1730909
MDL number:
Assay:
≥99.8%
Grade:
HPLC grade
Technique(s):
HPLC: suitable
Bp:
77-78 °C (lit.)
Vapor pressure:
80.1 mmHg ( 78.4 °C)
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grade

HPLC grade

Quality Level

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

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]-).

Packaging

M-Bottle for Solvents
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Other Notes

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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

WGK 2

flash_point_f

10.4 °F - closed cup

flash_point_c

-12 °C - closed cup



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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)
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