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550477

Sigma-Aldrich

3,9-Dodecadiyne

97%

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About This Item

Linear Formula:
CH3CH2C≡C(CH2)4C≡CCH2CH3
CAS Number:
61827-89-2
Molecular Weight:
162.27
MDL number:
MFCD00041637
UNSPSC Code:
12352100
PubChem Substance ID:
24879118

Assay

97%

refractive index

n20/D 1.465 (lit.)

bp

55-58 °C/0.5 mmHg (lit.)

density

0.809 g/mL at 25 °C (lit.)

SMILES string

CCC#CCCCCC#CCC

InChI

1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,9-12H2,1-2H3

InChI key

SLQXYOMUNKJHRV-UHFFFAOYSA-N

General description

3,9-Dodecadiyne is an internal diyne that can undergo nickel-catalyzed cycloaddition with aryl nitriles to form pyridines.

Application

3,9-Dodecadiyne may be used as a monomer to prepare soluble hyperbranched poly(phenylenealkenes) via transition metal-catalyzed polycyclotrimerization. It may also be used as a starting material for preparing 1,2,3,4,9,10-hexaethyl-6,7,8,9-tetrahydroanthracene.

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

10 - Combustible liquids

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.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

550477-5G:
550477-25G:
550477-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
16916AO

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New catalysts for polymerizations of substituted acetylenes.
Tang BZ, et al.
ACS Symp. Ser., 760 (2000)
Novel synthetic route to octasubstituted naphthalenes from four alkynes and one olefin unit via zirconacyclopentadienes and 1,2-diiodo-3,4,5,6-tetraalkylbenzene.
Zhou X, et al.
The Journal of Organic Chemistry, 69(13), 4559-4562 (2004)
A nickel-catalyzed route to pyridines.
McCormick MM, et al.
Journal of the American Chemical Society, 127(14), 5030-5031 (2005)

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