5-Cyano-2-furaldehyde

HCID 642139CAS 42061-89-2

Substructure search Find similar structures

Basic information

Standard SMILES: N#Cc1ccc(C=O)o1
InChIKey: PUQKOVRPNHYQIY-UHFFFAOYSA-N
Molecular formula: C6H3NO2
Average molar mass: 121.09 g/mol
Monoisotopic mass: 121.01637834

Overview

structure

Names & identifiers

Preferred name: 5-Cyano-2-furaldehyde
IUPAC: 5-formylfuran-2-carbonitrile
English name: 5-Formylfuran-2-carbonitrile
Molecular formula: C6H3NO2
Molecular weight: 121.09

Names & synonyms

42061-89-25-Cyano-2-furaldehydeDTXSID90194907RefChem:535052DTXCID901173985-formylfuran-2-carbonitrileMFCD082367985-formyl-2-furonitrile2-Furancarbonitrile, 5-formyl-5-cyanofurfural5-FORMYL-2-FURANCARBONITRILE5-cyano-2-furancarboxaldehyde

Show more names

Furfural Impurity 165-Cyanofuran-2-carbaldehydeSCHEMBL2305122PUQKOVRPNHYQIY-UHFFFAOYSA-NAKOS006228338AB44041BS-13152FC159720

Database identifiers

CAS: 42061-89-2
PubChem CID: 642139
DTXSID: DTXSID90194907
EC Number: 835-766-2

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 158

Physicochemical properties

Boiling point: 207 ℃ · 207℃
Density: 1.26 · 1.26
Flash point: 79 ℃ · 79℃
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319-H332-H315-H312-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319-H332-H315-H312-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P