alpha-Oxo-2-furanacetonitrile

HCID 80147

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6047-91-2
Standard SMILES: N#CC(=O)c1ccco1
InChIKey: BITJKGFKDMCINV-UHFFFAOYSA-N
Molecular formula: C6H3NO2
Average molar mass: 121.09 g/mol
Monoisotopic mass: 121.01637834

Names & identifiers

Preferred name: alpha-Oxo-2-furanacetonitrile
IUPAC: furan-2-carbonyl cyanide
English name: alpha-Oxo-2-furanacetonitrile
Molecular formula: C6H3NO2
Molecular weight: 121.09

Names & synonyms

6047-91-22-Furoyl cyanide2-Furanacetonitrile, alpha-oxo-ALPHA-OXO-2-FURANACETONITRILEPK9BKF3ANSNSC-59068DTXSID80209216RefChem:1076550DTXCID00131707227-944-8furan-2-carbonyl cyanide2-Furanglyoxylonitrile

Show more names

Furylglyoxylonitrile2-Furylglyoxylonitrile2-(Cyanocarbonyl)furanFur-2-ylglyoxylonitrile2-Furylcarbonyl cyanide2-Furancarbonyl cyanide2-Furyl(oxo)acetonitrile

Furoyl Cyanide.alpha.-Oxo-furan-2-acetonitrile2-Furanacetonitrile, .alpha.-oxo-Furfuroylcyanid2-furoylcyanide2-Furanglyoxylonitrile (7CI,8CI); 2-Furancarbonyl cyanide; 2-Furoyl cyanide; NSC 59068; a-oxo-2-Furanacetonitrile;NSC59068EINECS 227-944-8

Database identifiers

CAS: 6047-91-2
PubChem CID: 80147
DTXSID: DTXSID80209216
UNII: PK9BKF3ANS
EC Number: 227-944-8
Nikkaji: J227.257A

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 233 · 233-236 °C
Boiling point: 85 · 85-87°C 12mm
Density: 1.246 · 1.246
Flash point: 60 ℃ · 60℃
solubility: DMSO (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Dark Brown
Sensitive: Moisture Sensitive
FDA UNII: 9 BKF3ANS · PK9BKF3ANS
Symbol(GHS): 6 · GHS06,GHS09
Signal word: Danger
Hazard statements: 300 · H300-H311+H331-H315-H319-H400
Precautionary statements: 501 · P501-P261-P273-P270-P271-P264-P280-P391-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
HazardClass: 6.1 · 6.1

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS06,GHS09
hazard_class: 6.1
Hazard statements: H300-H311+H331-H315-H319-H400
Precautionary statements: P501-P261-P273-P270-P271-P264-P280-P391-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405