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501-65-5

501-65-5 Structure

501-65-5 Structure
IdentificationMore
[Name]

Diphenylacetylene
[CAS]

501-65-5
[Synonyms]

1,2-DIPHENYL ETHYNE
DIPHENYLACETYLENE
SYM-DIPHENYLACETYLENE
TOLAN
(Phenylethynyl)benzene
1,1'-(1,2-Ethanediyl)bisbenzene
1,1’-(1,2-ethynediyl)bis-benzen
1,1’-(1,2-Ethynediyl)bisbenzene
1,2-Diphenylacetylene
Acetylene, diphenyl-
acetylene,diphenyl-
Benzene, 1,1'-(1,2-ethynediyl)bis-
biphenylacetylene
Diphenylethyne
Ethyne, diphenyl-
ethyne,diphenyl-
Tolane
DIPHENYLACETYLENE, FOR SCINTILLATION
Diphenylacetylene,99%
Diphenilethyne
[EINECS(EC#)]

207-926-6
[Molecular Formula]

C14H10
[MDL Number]

MFCD00004786
[Molecular Weight]

178.23
[MOL File]

501-65-5.mol
Chemical PropertiesBack Directory
[Appearance]

white crystals
[Melting point ]

59-61 °C (lit.)
[Boiling point ]

170 °C/19 mmHg (lit.)
[density ]

0.99 g/mL at 25 °C(lit.)
[refractive index ]

1.6415 (estimate)
[Fp ]

170°C/19mm
[storage temp. ]

2-8°C
[form ]

Crystalline Powder and Chunks
[color ]

Light yellow to brownish
[Specific Gravity]

0.99
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[Water Solubility ]

Miscible with ether and hot alcohol. Immiscible with water.
[Specific Heat Capacity]

Cp(crystal):1.26746J/(g·K),at 25℃
[Merck ]

14,9504
[BRN ]

606478
[InChI]

1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H
[InChIKey]

JRXXLCKWQFKACW-UHFFFAOYSA-N
[SMILES]

c1ccc(cc1)C#Cc2ccccc2
[Uses]

Organic synthesis, purified grade, primary fluor or wavelength shifter in soluble scintillators.
[CAS DataBase Reference]

501-65-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Diphenylethyne(501-65-5)
[EPA Substance Registry System]

501-65-5(EPA Substance)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29029090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Tetrahydrofuran-->Dichloromethane-->Bromine-->Potassium hydroxide-->Triethylamine-->Acetonitrile-->Calcium chloride-->Triphenylphosphine-->Benzyl bromide-->Palladium chloride-->N,N-Dimethylacetamide-->Palladium (II) Acetate-->Cuprous iodide-->Lithium chloride-->Iodobenzene-->Hexadecyl trimethyl ammonium bromide-->Phenylacetylene-->(FORMYLMETHYLENE)TRIPHENYLPHOSPHORANE-->1,2-Diphenylethylenediamine-->TRANS-STILBENE
Hazard InformationBack Directory
[Chemical Properties]

white crystals
[Definition]

ChEBI: An arylacetylene that is acetylene in which the hydrogens are replaced by phenyl groups.
[Synthesis Reference(s)]

Canadian Journal of Chemistry, 61, p. 86, 1983 DOI: 10.1139/v83-015
Journal of the American Chemical Society, 87, p. 863, 1965 DOI: 10.1021/ja01082a029
The Journal of Organic Chemistry, 51, p. 3830, 1986 DOI: 10.1021/jo00370a016
[Purification Methods]

Crystallise tolan from EtOH. [Beilstein 5 H 656, 5 IV 2276.]
Spectrum DetailBack Directory
[Spectrum Detail]

Diphenylacetylene(501-65-5)MS
Diphenylacetylene(501-65-5)1HNMR
Diphenylacetylene(501-65-5)13CNMR
Diphenylacetylene(501-65-5)IR1
Diphenylacetylene(501-65-5)IR2
Diphenylacetylene(501-65-5)IR3
Diphenylacetylene(501-65-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Diphenylacetylene, 99%(501-65-5)
[Alfa Aesar]

Diphenylacetylene, 99%(501-65-5)
[Sigma Aldrich]

501-65-5(sigmaaldrich)
[TCI AMERICA]

Diphenylacetylene,>99.0%(GC)(501-65-5)
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