5-(4-chlorophenyl)-2-furaldehyde

HCID 676184CAS 34035-03-5

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1ccc(-c2ccc(Cl)cc2)o1
InChIKey: ROJGJNINTRCMBL-UHFFFAOYSA-N
Molecular formula: C11H7ClO2
Average molar mass: 206.628 g/mol
Monoisotopic mass: 206.01345714

Names & identifiers

Preferred name: 5-(4-chlorophenyl)-2-furaldehyde
IUPAC: 5-(4-Chlorophenyl)furan-2-carbaldehyde
English name: 5-(4-Chlorophenyl)-2-furaldehyde
Molecular formula: C11H7ClO2
Molecular weight: 206.63

Names & synonyms

AKOS B004122AKOS BAR-0548AURORA KA-4235ASISCHEM N16482ZERENEX E/4047331TIMTEC-BB SBB003482ART-CHEM-BB B0041225-(4-CHLOROPHENYL)FURFURAL5-(4-CHLOROPHENYL)-2-FURALDEHYD5-(4-Chlorophenyl)furfural, 95+%

Database identifiers

CAS: 34035-03-5
PubChem CID: 676184
DTXSID: DTXSID00350254
ChEMBL: CHEMBL375867
EC Number: 623-617-2
Nikkaji: J892.674C

Properties

Physicochemical properties

Melting point: 128 · 128-131 °C (lit.)
Boiling point: 350.7 · 350.7±32.0 °C(Predicted)
Density: 1.282 · 1.282±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Needles
color: Pale brown
InChI: 1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H
InChIKey: ROJGJNINTRCMBL-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)-c2ccc(C=O)o2
CAS DataBase Reference: 34035 · 34035-03-5(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-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 · 26-36-37/39
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

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29321900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses5-(4-Chlorophenyl)furfural is a metabolite of Azimilide (A926950, 2 HCl); an oral type III potassium channel blocker agent that blocks both the rapid activating component and the slow activating component of the delayed rectifier potassium current. Both preclinical and clinical studies have demonstrated the efficacy of Azimilide and its safety in the treatment of supraventricular and ventricular tachyarrhythmia. Azimilide is also being studied in a worldwide multicenter trial for prevention of sudden cardiac death in patients after myocardial infarction.

Uses5-(4-Chlorophenyl)furfural was used as one of the aldehydes in the synthesis of uridine-based library.

General Description5-(4-Chlorophenyl)furfural is a furfural derivative.