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161233

Sigma-Aldrich

1,4-Diphenylbutadiyne

99%

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About This Item

Linear Formula:
C6H5C≡CC≡CC6H5
CAS Number:
886-66-8
Molecular Weight:
202.25
EC Number:
212-953-1
MDL number:
MFCD00004787
UNSPSC Code:
12352100
PubChem Substance ID:
24849914
NACRES:
NA.22

Assay

99%

form

solid

mp

86-87 °C (lit.)

SMILES string

c1ccc(cc1)C#CC#Cc2ccccc2

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

InChI key

HMQFJYLWNWIYKQ-UHFFFAOYSA-N

General description

1,4-Diphenylbutadiyne reacts with [WI2(CO)3(NCMe)2] in CH2Cl2 to give the iodo-bridged dimer [W(μ-I)I(CO)(NCMe)(η2PhC2C2Ph)]2. 1,4-Diphenylbutadiyne on UV irradiation with olefins such as 2,3-dimethyl-2-butene, 1,4-cyclohexadiene and dimethyl fumarate yields cross-cycloaddition products.

Application

1,4-Diphenylbutadiyne was used in the preparation of 7,8-dehydropurpurin dimers via two-fold Pd-catalyzed [3+2] annulation of meso-bromoporphyrin.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

161233-25G:
161233-1G:
161233-BULK:
161233-5G:
161233-VAR:

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