Diphenylbutadiyne

C₁₆H₁₀CAS 886-66-8202.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₀
Molar mass: 202.26 g/mol
Exact mass: 202.0783 Da
Melting point: 86–87 °C
Boiling point: 85–90 °C (at 0.3 Torr)
logP: 3.09Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

886-66-8

SMILES

C(C#Cc1ccccc1)#Cc1ccccc1

InChIKey

HMQFJYLWNWIYKQ-UHFFFAOYSA-N

InChI

InChI=1S/C16H10/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9-12H

Weigh it out

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

Names and synonyms

11 names

Benzene, 1,1′-(1,3-butadiyne-1,4-diyl)bis-
Butadiyne, diphenyl-
1,1′-(1,3-Butadiyne-1,4-diyl)bis[benzene]
Diphenyldiacetylene
1,4-Diphenylbutadiyne
1,4-Diphenyl-1,3-butadiyne
Diphenyl-1,3-butadiyne
1,4-Diphenyldiacetylene
NSC 529170
(4-Phenylbuta-1,3-diyn-1-yl)benzene
1,1′-Buta-1,3-diyne-1,4-diyldibenzene

Reactions

DIPHENYLDIACETYLENE (Butadiyne, diphenyl-)product

Work with Diphenylbutadiyne

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

Diphenylacetylene501-65-573 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-069 % similar Methylphenylacetylene673-32-555 % similar Bromophenylacetylene932-87-655 % similar 9,10-Bis(phenylethynyl)anthracene10075-85-152 % similar 3-Phenyl-2-propyn-1-ol1504-58-148 % similar 1-Phenyl-2-(trimethylsilyl)acetylene2170-06-148 % similar Phenylpropynal2579-22-848 % similar

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

Same formula

Pyrene129-00-0 Fluoranthene206-44-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia