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494178

Sigma-Aldrich

1-Bromo-2-ethynylbenzene

95%

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About This Item

Linear Formula:
HC≡CC6H4Br
CAS Number:
766-46-1
Molecular Weight:
181.03
MDL number:
MFCD01863358
UNSPSC Code:
12352100
PubChem Substance ID:
24872882
NACRES:
NA.22

Assay

95%

refractive index

n20/D 1.595 (lit.)

bp

92-93 °C/20 mmHg (lit.)

density

1.443 g/mL at 25 °C (lit.)

SMILES string

Brc1ccccc1C#C

InChI

1S/C8H5Br/c1-2-7-5-3-4-6-8(7)9/h1,3-6H

InChI key

RVDOYUFNRDGYGU-UHFFFAOYSA-N

Related Categories

General description

1-Bromo-2-ethynylbenzene (BEB) is a haloalkyne. It undergoes Sonogashira coupling with methyl 2-iodobenzoate to form bromo tolane derivative.

Application

1-Bromo-2-ethynylbenzene may be used in the synthesis of 1-(2-bromophenyl)-2-(dibenzo[b,d]thiophen-4-yl)ethanone.

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)

145.4 °F - closed cup

Flash Point(C)

63 °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 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

494178-1G:
494178-VAR:
494178-BULK:

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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Z-Shaped Pentaleno-Acene Dimers with High Stability and Small Band Gap.
Dai G, et al.
Angewandte Chemie (Weinheim an der Bergstrasse, Germany), 128(8), 2743-2746 (2016)
Regioselective functionalisation of dibenzothiophenes through gold-catalysed intermolecular alkyne oxyarylation.
Barrett MJ, et al.
Organic & Biomolecular Chemistry, 13(32), 8676-8686 (2015)

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