4H,5H-furo(3,2-c)pyridin-4-one

HCID 288746

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Basic information

CAS: 26956-43-4
Standard SMILES: O=c1[nH]ccc2occc12
InChIKey: FYNCIYHECMWXPK-UHFFFAOYSA-N
Molecular formula: C7H5NO2
Average molar mass: 135.12 g/mol
Monoisotopic mass: 135.0320284

Names & identifiers

Preferred name: 4H,5H-furo(3,2-c)pyridin-4-one
IUPAC: 5H-furo[3,2-c]pyridin-4-one
English name: 4,5-Dihydro-4-oxofuro[3,2-c]pyridine
Molecular formula: C7H5NO2
Molecular weight: 135.12

Names & synonyms

4H,5H-furo[3,2-c]pyridin-4-one4H,5H-furo(3,2-c)pyridin-4-oneRefChem:527239839-231-4furo[3,2-c]pyridin-4(5H)-one26956-43-45H-furo[3,2-c]pyridin-4-oneFuro[3,2-C]Pyridin-4-Ol4,5-Dihydro-4-oxofuro[3,2-c]pyridineMFCD00183939NSC150076SCHEMBL126092

Show more names

1085614,5-Dihyro-4-Oxofuro[3,2]Pyridinefuranbenzo[3,2-c]pyridine-4(5H)-one4-OXO-4,5-DIHYDROFURO[3,2-C]PYRIDINEFuro[3,2-c]pyridin-4(5H)-one (8CI, 9CI, ACI)

SCHEMBL11625851DTXSID10302300FYNCIYHECMWXPK-UHFFFAOYSA-N5-hydrofurano[3,2-c]pyridin-4-oneMFCD09860645SBB056369SC2161AKOS000266289

Database identifiers

CAS: 26956-43-4
PubChem CID: 288746
DTXSID: DTXSID10302300
EC Number: 839-231-4
Nikkaji: J1.938.344J

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 42.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 188

Physicochemical properties

Melting point: 202 · 202-204 °C
Boiling point: 372.8 · 372.8±42.0 °C(Predicted)
Density: 1.288 · 1.288±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 12.11 · 12.11±0.20(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C7H5NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChIKey: FYNCIYHECMWXPK-UHFFFAOYSA-N
SMILES: C1(=O)NC=CC2OC=CC1=2
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310-P405-P501
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
RIDADR: 2811 · 2811
HazardClass: 6.1 · 6.1
PackingGroup: Ⅲ
HS Code: 2934999090 · 2934999090

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, 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.