40888-26-4

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40888-26-4 Structure

Identification	Back Directory
[Name] 2-ETHYNYL-BENZONITRILE
[CAS] 40888-26-4
[Synonyms] 2-ETHYNYL-BENZONITRILE 2-Cyanophenylacetylene Benzonitrile, 2-ethynyl- 2-Ethynylbenzonitrile 99% Benzonitrile, 2-ethynyl- (9CI)
[Molecular Formula] C9H5N
[MDL Number] MFCD08703475
[MOL File] 40888-26-4.mol
[Molecular Weight] 127.14

Chemical Properties	Back Directory
[Melting point ] 76 °C
[Boiling point ] 246.8±23.0 °C(Predicted)
[density ] 1.08±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C
[form ] powder
[color ] Off white (hint of pink)
[InChI] 1S/C9H5N/c1-2-8-5-3-4-6-9(8)7-10/h1,3-6H
[InChIKey] LZSDQLUEGYXDCW-UHFFFAOYSA-N
[SMILES] C#Cc1ccccc1C#N

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302
[Precautionary statements ] P280-P305+P351+P338
[Hazard Codes ] Xi
[Risk Statements ] 36
[Safety Statements ] 26
[WGK Germany ] WGK 3
[HS Code ] 2926907090
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Oral Eye Irrit. 2

Spectrum Detail	Back Directory
[Spectrum Detail] 2-ETHYNYL-BENZONITRILE(40888-26-4)¹HNMR

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