2'-Chloro-[1,1'-biphenyl]-2-carbaldehyde

HCID 1392375CAS 223575-76-6

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Basic information

Standard SMILES: O=Cc1ccccc1-c1ccccc1Cl
InChIKey: VNKJIEIGSAHDGE-UHFFFAOYSA-N
Molecular formula: C13H9ClO
Average molar mass: 216.66 g/mol
Monoisotopic mass: 216.03419259

Names & identifiers

Preferred name: 2'-Chloro-[1,1'-biphenyl]-2-carbaldehyde
IUPAC: 2-(2-chlorophenyl)benzaldehyde
English name: 2'-CHLORO-BIPHENYL-2-CARBALDEHYDE
Molecular formula: C13H9ClO
Molecular weight: 216.66

Names & synonyms

2'-Chloro-[1,1'-biphenyl]-2-carbaldehyde2'-chloro-(1,1'-biphenyl)-2-carbaldehydeRefChem:439587815-938-3223575-76-62'-Chloro[1,1'-biphenyl]-2-carbaldehyde2-(2-chlorophenyl)benzaldehyde2'-Chloro-biphenyl-2-carbaldehyde2'-Chloro-biphenyl-2-carboxaldehydeMFCD040390562'-Chloro-[1,1'-biphenyl]-2-carboxaldehydeSCHEMBL1547476

Show more names

AKOS BAR-01792'-Chloro[1,1'-biphenyl]-2-carboxaldehyde[1,1'-Biphenyl]-2-carboxaldehyde,2'-chloro-2-(2-Chlorophenyl)benzaldehyde, 2'-Chloro-2-formylbiphenyl

CHEMBL23159712'-chlorobiphenyl-2-carbaldehydeDTXSID40362614VNKJIEIGSAHDGE-UHFFFAOYSA-NYIA57576AKOS004113888AB92555MC-0021

Database identifiers

CAS: 223575-76-6
PubChem CID: 1392375
DTXSID: DTXSID40362614
ChEMBL: CHEMBL2315971
EC Number: 815-938-3

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 217

Physicochemical properties

Boiling point: 344.3 · 344.3±25.0 °C(Predicted)
Density: 1.214 · 1.214±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 271 · P271-P280
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-41-43
Safety Statements: 26 · 26-36/37-39
HazardClass: IRRITANT
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.