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129216

Cyclohexylacetylene

Name: Cyclohexylacetylene
Brand: ALDRICH

98%

Synonym(s):

Ethynylcyclohexane

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About This Item

Linear Formula:

C₆H₁₁C≡CH

CAS Number:

931-48-6

Molecular Weight:

108.18

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24847889

EC Number:

213-236-6

Beilstein/REAXYS Number:

1815535

MDL number:

MFCD00001513

Assay:

98%

Form:

liquid

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Properties

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.4540 (lit.)

bp

130-132 °C (lit.)

density

0.828 g/mL at 25 °C (lit.)

SMILES string

C#CC1CCCCC1

InChI

1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,8H,3-7H2

InChI key

SSDZYLQUYMOSAK-UHFFFAOYSA-N

Description

General description

Cyclohexylacetylene (Ethynylcyclohexane) mediates NADPH-dependent loss of cytochrome P-450 on incubation with hepatic microsomes.

Application

Cyclohexylacetylene (Ethynylcyclohexane) was used in the preparation of [Os[(E)-CH=CHR](=C=C=CPh2)(CH3CN)2(P(i)Pr3)2]BF4 (R = Ph, Cy).

pictograms

GHS02

signalword

Danger

hcodes

H225

pcodes

P210 - P233 - P240 - P241 - P242 - P243

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

64.4 °F - closed cup

flash_point_c

18 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Self-catalyzed inactivation of hepatic cytochrome P-450 by ethynyl substrates.

P R Ortiz de Montellano et al.

The Journal of biological chemistry, 255(12), 5578-5585 (1980-06-25)

Assembly of an allenylidene ligand, a terminal alkyne, and an acetonitrile molecule: formation of osmacyclopentapyrrole derivatives.

Tamara Bolaño et al.

Journal of the American Chemical Society, 128(12), 3965-3973 (2006-03-23)

Treatment in acetonitrile at -30 C of the hydride-alkenylcarbyne complex [OsH([triple bond]CCH=CPh2)(CH3CN)2(P(i)Pr3)2][BF4]2 (1) with (t)BuOK produces the selective deprotonation of the alkenyl substituent of the carbyne and the formation of the bis-solvento hydride-allenylidene derivative [OsH(=C=C=CPh2)(CH3CN)2(P(i)Pr3)2]BF4 (2), which under carbon monoxide

Global Trade Item Number

SKU	GTIN
129216-1G	04061838726094
129216-5G	04061838089809