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465305

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

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Quality Level

100

Assay

98%

refractive index

n20/D 1.5710 (lit.)

bp

82 °C/12 mmHg (lit.)

density

1.125 g/mL at 25 °C (lit.)

functional group

chloro

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.[1]

Application

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

158.0 °F - closed cup

Flash Point(C)

70 °C - closed cup

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.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

465305-1G:
465305-BULK:
465305-VAR:
465305-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCR2200
MKBT8526V
S67531V
MKBQ3284V
STBD0864V

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Song D-H and Ryu J-S.
Bull. Korean Chem. Soc., 35(9), 2635-2644 (2014)

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