4-Bromophenylacetylene

C₈H₅BrCAS 766-96-1181.03 g/mol

Open in Covalent MOL file

Alkyne Aryl halide

Properties

Molecular formula: C₈H₅Br
Molar mass: 181.03 g/mol
Exact mass: 179.9575 Da
logP: 2.43Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

766-96-1

SMILES

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

InChIKey

LTLVZQZDXQWLHU-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzene, 1-bromo-4-ethynyl-

Work with 4-Bromophenylacetylene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Diethynylbenzene935-14-867 % similar Bis(4-bromophenyl)acetylene2789-89-157 % similar 1,4-Dibromobenzene106-37-650 % similar 4-Ethynylaniline14235-81-550 % similar Tris(4-ethynylphenyl)amine189178-09-450 % similar Phenylacetylene536-74-350 % similar 4-Bromobenzonitrile623-00-750 % similar 4-Methylphenylacetylene766-97-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-2-ethynylbenzene766-46-1 1-Bromo-3-ethynylbenzene766-81-4 Bromophenylacetylene932-87-6

Elsewhere

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