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Merck
CN

238465

1-Chlorohexane

99%

Synonym(s):

Hexyl chloride

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About This Item

Linear Formula:
CH3(CH2)5Cl
CAS Number:
544-10-5
Molecular Weight:
120.62
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24854306
EC Number:
208-859-5
Beilstein/REAXYS Number:
1731289
MDL number:
MFCD00001018

Key Documents

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Product Name

1-Chlorohexane, 99%

InChI key

MLRVZFYXUZQSRU-UHFFFAOYSA-N

InChI

1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3

SMILES string

CCCCCCCl

assay

99%

form

liquid

refractive index

n20/D 1.419 (lit.)

bp

133-134 °C (lit.)

mp

−94 °C (lit.)

solubility

water: insoluble(lit.)

density

0.879 g/mL at 25 °C (lit.)

functional group

alkyl halide
chloro

Quality Level

200

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General description

Hydrodechlorination of vapours of chlorobenzene and 1-chlorohexane using Ni, Fe, W, Ni-Mo, Pt and Pd on activated carbon or on Al2O3 (catalyst) has been studied. Titanium silicalite catalyzed oxidation of 1-chlorohexane with hydrogen peroxide has been studied.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

80.6 °F - closed cup

flash_point_c

27 °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
BCBS3368V
BCBM0093V
1448104V
1448104
1402453

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Stephen E Repper et al.
Dalton transactions (Cambridge, England : 2003), 46(9), 2821-2828 (2017-02-09)
Absorption of carbon monoxide by copper(i)-containing ionic liquids, [C
Oxidation of saturated hydrocarbons with hydrogen peroxide, catalysed by titanium silicalite.
G Clerici M.
Applied Catalysis, 68(1), 249-261 (1999)
Performance of supported nickel and other metal catalysts in the hydrodechlorination of chlorobenzene and 1-chlorohexane.
de Jong V and Louw R.
Applied Catalysis A: General, 271(1), 153-163 (2004)
Horng-Jang Liaw et al.
Journal of hazardous materials, 367, 407-417 (2019-01-06)
Industrial use of ionic liquids may require exposure to high temperatures. We demonstrate that such applications may result in an increase in flammability hazard due to chemical decomposition. The ionic liquid, 1-hexyl-3-methylimidazolium chloride ([C6mim][Cl]), was selected as the study sample.
Pengfei Li et al.
Journal of chromatography. A, 1623, 461192-461192 (2020-06-09)
An imidazolium ionic-liquid-modified phenolic resin (ILPR) was synthesized using 3-aminophenol as a functional monomer, glyoxylic acid as a green cross-linker, and polyethylene glycol 6000 as a porogen. The obtained ILPR showed better extraction of benzoylurea plant hormones thidiazuron and forchlorfenuron
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