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Merck

271349

5-Hexynenitrile

97%

Synonym(s):

5-Cyano-1-pentyne

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About This Item

Linear Formula:
HC≡C(CH2)3CN
CAS Number:
14918-21-9
Molecular Weight:
93.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24856432
MDL number:
MFCD00001978
Beilstein/REAXYS Number:
1735926
Assay:
97%
Form:
liquid

Key Documents

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InChI

1S/C6H7N/c1-2-3-4-5-6-7/h1H,3-5H2

SMILES string

C#CCCCC#N

InChI key

JZYKFLLRVPPISG-UHFFFAOYSA-N

assay

97%

form

liquid

refractive index

n20/D 1.44 (lit.)

bp

115-117 °C (lit.)

density

0.889 g/mL at 25 °C (lit.)

functional group

nitrile

storage temp.

2-8°C

Quality Level

100

Related Categories

Application

5-Hexynenitrile was used in the synthesis of annelated symmetric and asymmetric 3,3′-disubstituted 2,2′-bipyridines by cobalt(I)-catalyzed [2+2+2] cycloadditions with 1,3-diynes.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

107.6 °F - closed cup

flash_point_c

42 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP8171
MKBW4450V
MKBQ6771V
MKBJ8924V
MKBG2225V

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J A Varela et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 7(23), 5203-5213 (2002-01-05)
A one-step, regioselective synthesis of annelated symmetric and asymmetric 3,3'-disubstituted 2,2'-bipyridines by cobalt(I)-catalyzed [2+2+2] cycloadditions between 5-hexynenitrile and 1,3-diynes is described. In the symmetric case, the total regioselectivity of the first cycloaddition is ensured electronically by the conjugation of the
Zhiguo Li et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 15(11), 2247-2251 (2014-05-08)
The Cu(I) -catalyzed 1,3-dipolar azide-alkyne cycloaddition (CuAAC) has arisen as one of the most useful chemical transformations for introducing complexity onto surfaces and materials owing to its functional-group tolerance and high yield. However, methods for monitoring such reactions in situ

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