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Merck
CN

77460

2-Chloroacetophenone

purum, ≥98.0% (GC)

Synonym(s):

ω-Chloroacetophenone, Phenacyl chloride

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About This Item

Linear Formula:
C6H5COCH2Cl
CAS Number:
Molecular Weight:
154.59
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-531-1
Beilstein/REAXYS Number:
507950
MDL number:
Assay:
≥98.0% (GC)
Form:
crystals
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grade

purum

Quality Level

assay

≥98.0% (GC)

form

crystals

bp

244-245 °C (lit.)

mp

53-56 °C, 54-56 °C (lit.)

density

1.324 g/mL at 25 °C (lit.)

functional group

chloro, ketone, phenyl

SMILES string

ClCC(=O)c1ccccc1

InChI

1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

InChI key

IMACFCSSMIZSPP-UHFFFAOYSA-N

Gene Information

human ... PTPN6(5777)

General description

2-Chloroacetophenone is an organic building block used in the synthesis of heterocyclic compounds. It has low solubility in water but can be soluble in alcohols, ethers and other organic solvents.

Application

2-Chloroacetophenone can be used in the synthesis of phenyl acetic acid by Photo-Favorskii rearrangement. It is also used in the preparation of 1-(2-chlorophenyl)ethanol via asymmetric hydrogenation reaction.


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Danger

Hazard Classifications

Acute Tox. 2 Oral - Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Eye Dam. 1 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

危险化学品

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Experimental study of the adsorption of 2-Chloroacetophenone at the air-environmental water interface
Hao, et al.
Frontiers in environmental science., 10, 2254-2254 (2022)
Preparation of microgel-supported chiral catalysts and their application in the asymmetric hydrogenation of aromatic ketones
Deng J, et al.
Reactive and Functional Polymers, 72, 378-382 (2012)
Principles of coaxial illumination for photochemical reactions: Part 2. Model validation
Meir, et al.
Journal of advanced materials and processing, 2 (2020)



Global Trade Item Number

SKUGTIN
77460-100G04061836686741
77460-500G04061836686758