ChemicalBook--->CAS DataBase List--->19596-07-7

19596-07-7

19596-07-7 Structure

19596-07-7 Structure
IdentificationBack Directory
[Name]

4-CYANO-1-BUTYNE
[CAS]

19596-07-7
[Synonyms]

4-CYANO-1-BUTYNE
4-PENTYNENITRILE
1-Cyano-3-butyne
4-Cyanobut-1-yne
4-Pentynenitrile 97%
4-CYANO-1-BUTYNE 98%
[Molecular Formula]

C5H5N
[MDL Number]

MFCD00041563
[MOL File]

19596-07-7.mol
[Molecular Weight]

79.1
Chemical PropertiesBack Directory
[Melting point ]

59-61℃
[Boiling point ]

60°C 10mm
[density ]

0,88 g/cm3
[refractive index ]

1.4369
[Fp ]

55.4℃
[storage temp. ]

2-8°C
[form ]

liquid
[color ]

Clear
[InChI]

1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2
[InChIKey]

VMUWIDHKAIGONP-UHFFFAOYSA-N
[SMILES]

C#CCCC#N
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P301+P310
[Hazard Codes ]

T
[Risk Statements ]

10-20/21/22-36/37/38-25
[Safety Statements ]

16-26-36-45
[RIDADR ]

3275
[WGK Germany ]

3
[HazardClass ]

6.1
[HS Code ]

2926907090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 40, p. 1230, 1997 DOI: 10.1021/jm960467d
Spectrum DetailBack Directory
[Spectrum Detail]

4-CYANO-1-BUTYNE(19596-07-7)1HNMR
4-CYANO-1-BUTYNE(19596-07-7)FT-IR
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