Crotononitrile, (Z)-
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Basic information
- CAS
1190-76-7- Standard SMILES
C/C=C\C#N- InChIKey
NKKMVIVFRUYPLQ-IHWYPQMZSA-N- Molecular formula
- C4H5N
- Average molar mass
- 67.09 g/mol
- Monoisotopic mass
- 67.04219916
Names & identifiers
- Preferred name
- Crotononitrile, (Z)-
- IUPAC
- (Z)-but-2-enenitrile
- English name
- CIS-CROTONONITRILE
- Molecular weight
- 0
Names & synonyms
Crotononitrile, (Z)-RefChem:919216cis-Crotononitrile(Z)-2-Butenenitrilecis-CyanopropeneIsocrotonic nitrile(Z)-Crotononitrilecis-2-Butenenitrileisocrotononitrile1190-76-72-Butenenitrile, (Z)-2-butenenitrile, (2Z)-
Show more names
F827TLS5FMcis-1-Propenyl cyanide(Z)-but-2-enenitrilecis-beta-Methylacrylonitrile(2Z)-2-Butenenitrile(2Z)-but-2-enenitrileBRN 1719746cis-but-2-enenitrile
Database identifiers
- CAS
1190-76-7、4786-20-3- PubChem CID
- 643774
- DTXSID
DTXSID801030723- UNII
- F827TLS5FM
- Nikkaji
- J149.596H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 72.9
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- -72.6 °C · -72.6°C
- Boiling point
- 108.92 °C · 108.92°C (estimate)
- Density
- 0.819 · 0.8190
- refractive index
- 1.4134 · 1.4134
- FDA UNII
- 827 TLS5FM · F827TLS5FM
- RIDADR
- 2924 · 2924
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Adverse EffectsCompound with “good evidence” of ototoxic properties in animal studies.
Safety data
- ridadr
- 2924
- hazard_class
- 3.1
- packing_group
- II
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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