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Merck
CN

481378

Allyl chloride

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
UNSPSC Code:
12352100
NACRES:
NA.21
PubChem Substance ID:
24871752
EC Number:
203-457-6
Beilstein/REAXYS Number:
635704
MDL number:
MFCD00000984

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InChI key

OSDWBNJEKMUWAV-UHFFFAOYSA-N

InChI

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

SMILES string

ClCC=C

vapor density

2.6 (vs air)

vapor pressure

20.58 psi ( 55 °C), 5.71 psi ( 20 °C)

assay

98.0% (returnable containers)

expl. lim.

11.2 %

refractive index

n20/D 1.414 (lit.)

bp

44-46 °C (lit.)

mp

−130 °C (lit.)

density

0.939 g/mL at 25 °C (lit.)

storage temp.

2-8°C

Quality Level

200

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Packaging

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signalword

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

3 - Flammable liquids

wgk

WGK 2

flash_point_f

-25.6 °F

flash_point_c

-32 °C

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN0879
SHBH9107
SHBM0013
SHBL4771
SHBL0280

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Shin-ichi Ikeda et al.
Chemical communications (Cambridge, England), (4)(4), 457-459 (2006-02-24)
The Ni-catalyzed coupling of allyl chlorides and enynes has been developed; the cyclization of enynes was triggered by the addition of pi-allylnickel species to the alkyne part, followed by the incorporation of the alkene part.
Yan-Bo Yu et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(46), 14643-14648 (2012-10-12)
Simply id(all)ylic: a copper- and phosphine-ligand-free Pd-catalyzed direct allylation of electron-deficient polyfluoroarenes with allylic chlorides and the reaction mechanism are described. The simple catalytic system, broad substrate scope, and excellent functional-group compatibility of this protocol provides a useful and facile
B M de Rooij et al.
Drug metabolism and disposition: the biological fate of chemicals, 24(7), 765-772 (1996-07-01)
Allyl chloride (AC) is used as intermediate in the synthesis of epichlorohydrin (ECH). We investigated the biotransformation of AC in rats to select potential urinary biomarkers of exposure. For this purpose, we developed analytical methods to measure different selected urinary
Justin M Chalker et al.
Chemical communications (Cambridge, England), (25)(25), 3714-3716 (2009-06-27)
Multiple, complementary methods are reported for the chemical conversion of cysteine to S-allyl cysteine on protein surfaces, a useful transformation for the exploration of olefin metathesis on proteins.
Kai Abersfelder et al.
Journal of the American Chemical Society, 130(12), 4114-4121 (2008-03-04)
The rearrangements of (chlorosilyl)disilenes R2(Cl)Si-(Tip)Si=SiTip2 (5a,b: Tip = 2,4,6-iPr3C6H2, a: R = Me, b: R = Ph) quantitatively yield the isomeric chlorocyclotrisilanes (6a,b). The disilene precursors 5a,b are, in turn, accessible from the reactions of the disilenide Tip2Si=Si(Tip)Li (1), that
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