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Sigma-Aldrich

1-Chloro-2-ethynylbenzene

98%

Synonym(s):

(2-Chlorophenyl)acetylene

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About This Item

Linear Formula:
ClC6H4C≡CH
CAS Number:
873-31-4
Molecular Weight:
136.58
MDL number:
MFCD00269951
UNSPSC Code:
12352100
PubChem Substance ID:
24870265
NACRES:
NA.22

assay

98%

refractive index

n20/D 1.5710 (lit.)

bp

82 °C/12 mmHg (lit.)

density

1.125 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Clc1ccccc1C#C

InChI

1S/C8H5Cl/c1-2-7-5-3-4-6-8(7)9/h1,3-6H

InChI key

DGLHLIWXYSGYBI-UHFFFAOYSA-N

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General description

1-Chloro-2-ethynylbenzene is a chlorinated benzene derivative.

Application

1-Chloro-2-ethynylbenzene may be used in the synthesis of 4-(2-chlorophenylethynyl)-3-methyl-5-phenylisoxazole.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

158.0 °F - closed cup

flash_point_c

70 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry and simultaneous electron capture detection/nitrogen phosphorous detection for incense analysis.
Tran TC and Marriott PJ.
Atmospheric Environment, 42(32), 7360-7372 (2008)
Synthesis of 3, 4, 5-Trisubstituted Isoxazoles through Gold-Catalyzed Cascade Cyclization- Oxidative Alkynylation and Cyclization-Fluorination of 2-Alkynone O-Methyloximes.
Song D-H and Ryu J-S.
Bull. Korean Chem. Soc., 35(9), 2635-2644 (2014)

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