1,4-Diphenylbutadiyne

Basic Information

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CAS Number

886-66-8

Molecular Formula

C16H10

Molecular Weight

92.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

86.0 to 89.0 deg-C

Boiling Point

210°C/3mmHg

Density

1.10±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

150.5°C

Solubility

Insuluble (5.5E-4 g/L) (25 ºC),

Refractive Index

1.5000 (estimate)

SMILES

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C1=CC=C(C=C1)C#CC#CC2=CC=CC=C2

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

InChIKey

HMQFJYLWNWIYKQ-UHFFFAOYSA-N

LogP

1.99502

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

289

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1,4-Diphenylbutadiyne
1,4-Diphenylbutadiyne, (1,4-Diphenyldiacetylene)
(4-phenylbuta-1,3-diynyl)benzene
1,4-Diphenyldiacetylene
4-phenylbuta-1,3-diynylbenzene
Diphenyl-1,3-butadiyne
Diphenylbutadiyne
Diphenyldiacetylene
NSC 529170
Butadiyne, diphenyl-
1,4-Diphenyl-1,3-butadiyne
Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis-
1,4-diphenylbuta-1,3-diyne
1,1'-buta-1,3-diyne-1,4-diyldibenzene
(4-Phenyl-1,3-butadiynyl)benzene
84WV7G15RN
1,1'-(1,3-Butadiyne-1,4-diyl)bisbenzene
HMQFJYLWNWIYKQ-UHFFFAOYSA-N
Diphenylbiacetylene
1,1′-(1,3-Butadiyne-1,4-diyl)bis[benzene] (ACI)
Butadiyne, diphenyl- (6CI, 7CI, 8CI)
(4-Phenylbuta-1,3-diyn-1-yl)benzene
1,1′-Buta-1,3-diyne-1,4-diyldibenzene
Benzene,1'-(1,3-butadiyne-1,4-diyl)bis-
1,1'(1,3Butadiyne1,4diyl)bisbenzene
AKOS004905441
D2789
886-66-8
(4-phenylbuta-1,3-diyn-1-yl)benzene
MFCD00004787
1,4-Diphenylbut-1,3-diyne

MDL Number

MFCD00004787

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 1,4-Diphenylbutadiyne (CAS: 886-66-8)?

1,4-Diphenylbutadiyne (CAS: 886-66-8) is a crystalline compound with a molecular weight of approximately 246.27 g/mol. It has a low solubility in water but is soluble in organic solvents such as dichloromethane and acetone. Chemically, it is relatively stable but can undergo reactions such as photodimerization and substitution under certain conditions.

How is 1,4-Diphenylbutadiyne (CAS: 886-66-8) typically synthesized?

1,4-Diphenylbutadiyne (CAS: 886-66-8) can be synthesized through the Wittig reaction, where phenylphosphonium bromide reacts with but-3-yne-1,4-diol to form the desired compound. This reaction typically requires a suitable solvent like dichloromethane and can achieve yields above 80% under optimized conditions.

What industries use 1,4-Diphenylbutadiyne (CAS: 886-66-8)?

1,4-Diphenylbutadiyne (CAS: 886-66-8) is used in various industries including pharmaceuticals for its photochromic properties, polymers for its light-stable characteristics, and sensors for its ability to detect specific chemical environments. It is also explored in semiconductors for its potential in electronic applications.

What precautions should be taken when handling 1,4-Diphenylbutadiyne (CAS: 886-66-8)?

When handling 1,4-Diphenylbutadiyne (CAS: 886-66-8), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, well-ventilated area away from direct sunlight and flammable materials. In case of spill, use appropriate absorbent material and follow SDS (Safety Data Sheet) guidelines for disposal.