5-(2-Chlorophenyl)-2-furaldehyde

HCID 609821CAS 34035-04-6

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Basic information

Standard SMILES: O=Cc1ccc(-c2ccccc2Cl)o1
InChIKey: ONQOZTFAOFZDFK-UHFFFAOYSA-N
Molecular formula: C11H7ClO2
Average molar mass: 206.628 g/mol
Monoisotopic mass: 206.01345714

Names & identifiers

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

Names & synonyms

AKOS B019753AKOS BAR-0550AURORA KA-4220ASISCHEM N39057TIMTEC-BB SBB0004625-(2-Chlorophenyl)furfural5-(2-Chlorophenyl)furfural 95%5-(2-CHLOROPHENYL)-2-FURALDEHYDE5-(2-CHLOROPHENYL)-2-FURANCARBOXALDEHYDE5-(2-CHLORO-PHENYL)-FURAN-2-CARBALDEHYDE

Database identifiers

CAS: 34035-04-6
PubChem CID: 609821
DTXSID: DTXSID90346121
ChEMBL: CHEMBL4455950
EC Number: 622-983-0
Nikkaji: J1.681.676K

Properties

Physicochemical properties

Melting point: 68 · 68-72 °C (lit.)
Boiling point: 333.3 · 333.3±32.0 °C(Predicted)
Density: 1.282 · 1.282±0.06 g/cm3(Predicted)
InChI: 1S/C11H7ClO2/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-7H
InChIKey: ONQOZTFAOFZDFK-UHFFFAOYSA-N
SMILES: Clc1ccccc1-c2ccc(C=O)o2
CAS DataBase Reference: 34035 · 34035-04-6(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: 29321900 · 29321900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3