5-(3,4-Dichlorophenyl)-2-furaldehyde

HCID 617688CAS 52130-34-4

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIKey: PSQLTDROSWBPGT-UHFFFAOYSA-N
Molecular formula: C11H6Cl2O2
Average molar mass: 241.07 g/mol
Monoisotopic mass: 239.97448479

Names & identifiers

Preferred name: 5-(3,4-Dichlorophenyl)-2-furaldehyde
IUPAC: 5-(3,4-dichlorophenyl)furan-2-carbaldehyde
English name: 5-(3,4-Dichlorophenyl)furfural
Molecular formula: C11H6Cl2O2
Molecular weight: 241.07

Names & synonyms

52130-34-45-(3,4-dichlorophenyl)furan-2-carbaldehyde5-(3,4-Dichlorophenyl)-2-furaldehyde5-(3,4-Dichlorophenyl)furfuralMFCD004480455-(3,4-Dichlorophenyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(3,4-dichlorophenyl)-SCHEMBL1806482DTXSID10347079CCA13034BBL019114SBB003210

Show more names

5-(3 4-DICHLOROPHENYL)FURFURAL 975-(3,4-Dichlorophenyl)furfural 97%5-(3,4-DICHLORO-PHENYL)-FURAN-2-CARBALDEHYDE5-(3,4-dichlorophenyl)-2-furaldehyde(SALTDATA: FREE)

STK047442AKOS000108205SB611715-(3,4-Dichlorophenyl)furfural, 97%VS-06878CS-0116926ST50817486EN300-04807

Database identifiers

CAS: 52130-34-4
PubChem CID: 617688
DTXSID: DTXSID10347079
EC Number: 621-204-1

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 140 · 140-143 °C (lit.)
form: solid
InChI: 1S/C11H6Cl2O2/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-6H
InChIKey: PSQLTDROSWBPGT-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(o1)-c2ccc(Cl)c(Cl)c2
UNSPSC Code: 12352100 · 12352100
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
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.