CAS
40886-95-1 Purity
96%
40886-95-1 Purity
96%
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2-ETHYNYL-BENZONITRILE
CAS
40888-26-4
Catalog Number
ACM40888264
Category
Other Products
Molecular Weight
127.1427
Molecular Formula
C9H5N
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Specification
Synonyms
2-ETHYNYL-BENZONITRILE;Benzonitrile, 2-ethynyl- (9CI)
IUPAC Name
2-ethynylbenzonitrile
SMILES
C#CC1=CC=CC=C1C#N
InChI Key
LZSDQLUEGYXDCW-UHFFFAOYSA-N
Boiling Point
246.75ºC at 760 mmHg
Flash Point
103.017ºC
Density
1.081g/cm³
Exact Mass
127.04200
H-Bond Acceptor
1
H-Bond Donor
0
Upstream Synthesis Route 1
- 2074-87-5
- 536-74-3
- 40888-26-4
- 3032-92-6
- 171290-53-2
Reference: [1] Physical Chemistry Chemical Physics, 2010, vol. 12, # 31, p. 8737 - 8749
Downstream Synthesis Route 1
- 40888-26-4
- 38379-21-4
Reference: [1]Varela-Fernández, Alejandro; Varela, Jesús A.; Saá, Carlos
[Synthesis, 2012, vol. 44, # 21, p. 3285 - 3295]
[2]Aronica, Laura Antonella; Albano, Gianluigi; Giannotti, Luca; Meucci, Elisa
[European Journal of Organic Chemistry, 2017, vol. 2017, # 5, p. 955 - 963]
[3]Varela-Fernandez, Alejandro; Varela, Jesus A.; Saa, Carlos
[Advanced Synthesis and Catalysis, 2011, vol. 353, # 11-12, p. 1933 - 1937]
[4]Song, Liangliang; Tian, Guilong; Van Meervelt, Luc; Van Der Eycken, Erik V.
[Organic Letters, 2020, vol. 22, # 16, p. 6537 - 6542]
[5]Tian, Guilong; Song, Liangliang; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van Der Eycken, Erik V.
[Organic Letters, 2020, vol. 22, # 21, p. 8441 - 8445]
Downstream Synthesis Route 2
- 40888-26-4
- 79887-16-4
- 252980-18-0
Reference: [1]Schipper, Derek J.; Moh, Lionel C. H.; Mueller, Peter; Swager, Timothy M.
[Angewandte Chemie - International Edition, 2014, vol. 53, # 23, p. 5847 - 5851][Angew. Chem., 2014, vol. 53, # 23, p. 5604 - 5608,5]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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