Ketone, 3-furyl phenyl

HCID 201640

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Basic information

CAS: 6453-98-1
Standard SMILES: O=Cc1cccc(-c2ccco2)c1
InChIKey: BTAANNDAXIYWAN-UHFFFAOYSA-N
Molecular formula: C11H8O2
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.0524295

Names & identifiers

Preferred name: Ketone, 3-furyl phenyl
IUPAC: 3-(furan-2-yl)benzaldehyde
English name: 3-(2-Furyl)benzaldehyde
Molecular formula: C11H8O2
Molecular weight: 172.18

Names & synonyms

Ketone, 3-furyl phenylDTXSID40214801RefChem:1088000DTXCID301372923-(2-furyl)benzaldehyde85553-52-23-(furan-2-yl)benzaldehydeBenzaldehyde, 3-(2-furanyl)-3-Furan-2-yl-benzaldehyde3-Furanylphenylmethanone6453-98-1MFCD03990461

Show more names

AKOS BAR-0078VITAS-BB TBB000246CHEMBRDG-BB 40035013-Fur-2-ylbenzaldehyde2-(3-Formylphenyl)furan3-(2-furyl)benzaldehyde(SALTDATA: FREE)

3-Benzoylfuran3-(Fur-2-yl)benzaldehyde3-Furyl phenyl ketone3-FurfanylphenylmethanoneMethanone, 3-furfanylphenyl-BRN 01211293-(2-furanyl)benzaidehyde3-(2-furanyl)benzaldehyde

Database identifiers

CAS: 6453-98-1、85553-52-2
PubChem CID: 201640
DTXSID: DTXSID40214801
Nikkaji: J1.857.012B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 179

Physicochemical properties

form: solid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
Hazard Note: Irritant
HS Code: 2913000090 · 2913000090

Safety & regulation

Safety data

hs_code: 2913000090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313