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236306

Sigma-Aldrich

Allyl chloride

ReagentPlus®, 99%

Synonym(s):

3-Chloro-1-propene, Chlorallylene

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About This Item

Linear Formula:
CH2=CHCH2Cl
CAS Number:
107-05-1
Molecular Weight:
76.52
Beilstein:
635704
EC Number:
203-457-6
MDL number:
MFCD00000984
UNSPSC Code:
12352100
PubChem Substance ID:
24854161
NACRES:
NA.22

vapor density

2.6 (vs air)

Quality Level

100

vapor pressure

20.58 psi ( 55 °C)
5.71 psi ( 20 °C)

product line

ReagentPlus®

Assay

99%

form

liquid

expl. lim.

11.2 %

refractive index

n20/D 1.414 (lit.)

bp

44-46 °C (lit.)

mp

−130 °C (lit.)

solubility

alcohol: miscible(lit.)
chloroform: miscible(lit.)
diethyl ether: miscible(lit.)
petroleum ether: miscible(lit.)
water: slightly soluble(lit.)

density

0.939 g/mL at 25 °C (lit.)

functional group

alkyl halide
chloro

storage temp.

2-8°C

SMILES string

ClCC=C

InChI

1S/C3H5Cl/c1-2-3-4/h2H,1,3H2

InChI key

OSDWBNJEKMUWAV-UHFFFAOYSA-N

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General description

Kinetcis of epoxidation of allyl chloride with hydrogen peroxide has been reported.

Application

Allyl chloride has been employed:
  • as precursor for generation of allyl radicals by laser flash photolysis at 193nm
  • in the synthesis of α,ω-difunctional chemical intermediates via the cross-metathesis reactions

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

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Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Carc. 2 - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3

Target Organs

Nervous system,Liver,Kidney, Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

-25.6 °F

Flash Point(C)

-32 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

236306-VAR:
236306-BULK:
236306-100ML:4548173927671
236306-5ML:4548173927688

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT2334
MKCT2335
STBK3883
STBJ4696
MKCL0865

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Lars Seidel et al.
Molecules (Basel, Switzerland), 18(11), 13608-13622 (2013-11-07)
Photochemically driven reactions involving unsaturated radicals produce a thick global layer of organic haze on Titan, Saturn's largest moon. The allyl radical self-reaction is an example for this type of chemistry and was examined at room temperature from an experimental
Epoxidation of allyl chloride with hydrogen peroxide catalyzed by titanium silicalite 1.
Gao H, et al.
Applied Catalysis A: General, 138(1), 27-38 (1996)
Cross-metathesis reactions of allyl chloride with fatty acid methyl esters: Efficient synthesis of a, ?-difunctional chemical intermediates from renewable raw materials.
Jacobs T, et al.
Applied Catalysis A: General, 353(1), 32-35 (2009)
Fumihiro Amemiya et al.
Organic & biomolecular chemistry, 9(11), 4256-4265 (2011-04-13)
Product selectivity control based on a liquid-liquid parallel laminar flow has been successfully demonstrated by using a microreactor. Our electrochemical microreactor system enables regioselective cross-coupling reaction of aldehyde with allylic chloride via chemoselective cathodic reduction of substrate by the combined
Qing-Shan Wang et al.
Toxicology, 231(1), 58-67 (2006-12-30)
Allyl chloride (AC) is widely used in industries as raw material and has been reported to produce occupational peripheral neuropathies in man chronically exposure to it. Although many studies have been done addressing to it, the mechanisms still remain unclear.
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