4-Bromophenylacetylene

CAS

766-96-1

Catalog Number

ACM766961

Category

Other Products

Molecular Weight

181.03

Molecular Formula

C₈H₅Br

MSDS COA Spec Sheet

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Specification

Synonyms

1-Bromo-4-ethynylbenzene, Benzene, 1-bromo-4-ethynyl-, 206512_ALDRICH, CID136603, B180, ST5408831, InChI=1/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6, 766-96-1

IUPAC Name

1-bromo-4-ethynylbenzene

Canonical SMILES

C#CC1=CC=C(C=C1)Br

InChI Key

LTLVZQZDXQWLHU-UHFFFAOYSA-N

Boiling Point

88-90ºC 16mm,199.2ºC at 760 mmHg

Melting Point

64-67ºC

Flash Point

77.9ºC

Density

1.5 g/cm³

Appearance

off-white solid

Exact Mass

179.95700

Hazard Statements

Xn:Harmful;N:Dangerousfortheenvironment;

H-Bond Acceptor

H-Bond Donor

Safety Description

S61

WGK Germany

Downstream Synthesis Route 1

766-96-1
64-19-7

7716-86-1
4209-02-3
51556-09-3
99-90-1
84553-29-7
84553-24-2

Reference: [1] Tetrahedron Letters, 1982, vol. 23, # 34, p. 3483 - 3486

Downstream Synthesis Route 2

766-96-1
64-19-7

7716-86-1
4209-02-3
99-90-1
84553-24-2

Reference: [1] Journal of Chemical Research, Miniprint, 1983, # 9, p. 2127 - 2155

Downstream Synthesis Route 3

766-96-1

34108-77-5
7511-49-1

Reference: [1] Journal of the American Chemical Society, 2006, vol. 128, # 47, p. 15094 - 15095
[2] Chemical Communications, 2006, # 19, p. 2066 - 2068
[3] Dalton Transactions, 2013, vol. 42, # 37, p. 13327 - 13330