4-Ethynyl-1,1′-biphenyl

C₁₄H₁₀CAS 29079-00-3178.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₀
Molar mass: 178.23 g/mol
Exact mass: 178.0783 Da
Melting point: 86–88 °C
Boiling point: 137 °C (at 3 Torr)
logP: 3.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

29079-00-3

SMILES

C#Cc1ccc(-c2ccccc2)cc1

InChIKey

BPBNKCIVWFCMJY-UHFFFAOYSA-N

InChI

InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H

Weigh it out

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

Names and synonyms

17 names · show all

1,1′-Biphenyl, 4-ethynyl-
Biphenyl, 4-ethynyl-
4-Ethynylbiphenyl
4-Biphenylylacetylene
p-Biphenylacetylene
4-Biphenylacetylene
LY 81979
(p-Phenyl)phenylacetylene
(4-Phenylphenyl)ethyne
(1,1′-Biphenyl-4-yl)acetylene
1-Phenyl-4-ethynylbenzene
p-Phenylethynylbenzene
1-Ethynyl-4-phenylbenzene
(4-Phenylphenyl)acetylene
4-Phenylphenylacetylene
(1,1′-Biphenyl-4-yl)ethyne
4-Ethynyl-1,1'-biphenyl

Work with 4-Ethynyl-1,1′-biphenyl

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

Phenylacetylene536-74-370 % similar 1,4-Diethynylbenzene935-14-863 % similar (1,1'-Biphenyl)-4-carbonitrile2920-38-954 % similar para-Quaterphenyl135-70-653 % similar P-Quinquephenyl3073-05-053 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-653 % similar Terphenyl92-94-453 % similar 4-Ethynylaniline14235-81-548 % similar

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

Same formula

Anthracene120-12-7 (2H10)Anthracene1719-06-8 9-Methylene-fluorene4425-82-5 Diphenylacetylene501-65-5 Phenanthrene85-01-8

Elsewhere

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