5-(3-Chlorophenyl)-2-furaldehyde

HCID 609822CAS 22078-59-7

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Basic information

Standard SMILES: O=Cc1ccc(-c2cccc(Cl)c2)o1
InChIKey: FIGLPGGFAIZKFQ-UHFFFAOYSA-N
Molecular formula: C11H7ClO2
Average molar mass: 206.628 g/mol
Monoisotopic mass: 206.01345714

Names & identifiers

Preferred name: 5-(3-Chlorophenyl)-2-furaldehyde
IUPAC: 5-(3-Chlorophenyl)furan-2-carbaldehyde
English name: 5-(3-Chlorophenyl)-2-furaldehyde
Molecular formula: C11H7ClO2
Molecular weight: 206.63

Names & synonyms

AKOS B015974AKOS BAR-0549AURORA KA-4240ASISCHEM N43033TIMTEC-BB SBB003483ART-CHEM-BB B0159745-(3-CHLOROPHENYL)FURFURAL5-(3-Chlorophenyl)-2-furaldehyde5-(3-CHLOROPHENYL)-2-FURANCARBOXALDEHYDE5-(3-CHLORO-PHENYL)-FURAN-2-CARBALDEHYDE

Database identifiers

CAS: 22078-59-7
PubChem CID: 609822
DTXSID: DTXSID50346122
ChEMBL: CHEMBL4471594
EC Number: 624-320-0
Nikkaji: J2.144.413H

Properties

Physicochemical properties

Melting point: 109 · 109-111 °C(lit.)
Boiling point: 354.7 · 354.7±32.0 °C(Predicted)
Density: 1.282 · 1.282±0.06 g/cm3(Predicted)
InChI: 1S/C11H7ClO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H
InChIKey: FIGLPGGFAIZKFQ-UHFFFAOYSA-N
SMILES: Clc1cccc(c1)-c2ccc(C=O)o2
CAS DataBase Reference: 22078 · 22078-59-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2932190090 · 2932190090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3