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Merck
CN

414255

1-Chlorobutane

anhydrous, 99.5%

Synonym(s):

Butyl chloride

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About This Item

Linear Formula:
CH3(CH2)3Cl
CAS Number:
109-69-3
Molecular Weight:
92.57
UNSPSC Code:
12352101
NACRES:
NA.21
PubChem Substance ID:
57650058
EC Number:
203-696-6
Beilstein/REAXYS Number:
1730909
MDL number:
MFCD00001009
Assay:
99.5%
Grade:
anhydrous
Vapor pressure:
80.1 mmHg ( 78.4 °C)

Key Documents

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InChI key

VFWCMGCRMGJXDK-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCl

grade

anhydrous

vapor density

3.2 (vs air)

vapor pressure

80.1 mmHg ( 78.4 °C)

assay

99.5%

form

liquid

autoignition temp.

860 °F

expl. lim.

10.1 %

impurities

<0.002% water

evapn. residue

<0.0003%

Quality Level

100

mp

−123 °C (lit.)

density

0.886 g/mL at 25 °C (lit.)

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General description

1-Chlorobutane is an isomer of chlorobutane. It undergoes stoichiometric and catalytic dehydrochlorination on reacting with nanocrystalline MgO (magnesium oxide) to generate isomers of butene. Viscosities of the binary mixtures of pentyl acetate and 1-chlorobutane and 1-chlorobutane and acetonitrile has been studied. This study helps in better understanding of cosolvency in polymer system.

Application

1-Chlorobutane may be used in the synthesis of 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIM][HSO4]).

pictograms

FlameHealth hazard
GHS02,GHS08

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

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
SHBT3737
SHBS6133
SHBN9919
SHBR6535
SHBQ3225

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Simultaneous Prediction of Densities and Vapor-Liquid Equilibria of Mixtures Containing an Isomeric Chlorobutane and Methyl tert-Butyl Ether Using the VTPR Model.
Montano D, et al.
Industrial & Engineering Chemistry Research, 50(24), 14193-14202 (2011)
Viscosities and excess volumes of binary mixtures formed by the liquids acetonitrile, pentyl acetate, 1-chlorobutane, and carbon tetrachloride at 25?C.
Prolongo MG, et al.
The Journal of Physical Chemistry, 88(10), 2163-2167 (1984)
Extraction and oxidative desulfurization of diesel fuel catalyzed by a Br?nsted acidic ionic liquid at room temperature.
Gao H, et al.
Green Chemistry, 12(7), 1220-1224 (2010)
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)
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).
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