CAS:3032-92-6 / 4-ethynylbenzonitrile--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 3032-92-6
4-ethynylbenzonitrile

Structure
Name: 4-ethynylbenzonitrile
Synonyms:

General Information

Product Number: 3032926

CAS Registry Number 3032-92-6
Name:
Benzonitrile, 4-ethynyl-
Benzonitrile, p-ethynyl- (7CI,8CI)
(4-Cyanophenyl)acetylene
(4-Cyanophenyl)ethyne
1-Cyano-4-ethynylbenzene
4-Ethynyl-1-cyanobenzene

Chemical Formula: C9H5N
Exact Mass: 127.04
Molecular Weight: 127.14
m/z: 127.04 (100.0%), 128.05 (9.8%)

InChI:InChI=1S/C9H5N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H

InChI Key:LAGNMUUUMQJXBF-UHFFFAOYSA-N

Canonical SMILES:C#CC1=CC=C(C=C1)C#N

Thermal Properties	Value	Condition	Note
Melting Point	159-161 °C	Solv: chloroform (67-66-3)	(1)CAS
Melting Point	158-159 °C	Solv: hexane (110-54-3); dichloromethane (75-09-2)	(6)CAS
Melting Point	156-157 °C	Solv: ethanol (64-17-5)	(4)IC

Specification

98%

References

(1) Beshai, Mira; Tetrahedron Letters 2008, V49(48), P6794-6796 CAPLUS
(4) Takahashi, S.; Synthesis 1980, (8), P627-30 CAPLUS
(6) Ranganathan, Anupama; Chemical Communications (Cambridge, United Kingdom) 2007, (35), P3637-3639 CAPLUS

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