CAS 13209-33-1 1,2-Benzenedicarboxaldehyde, 4,5-dichloro- (HCID 9837109)

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Basic information

CAS: 13209-33-1
Standard SMILES: O=Cc1cc(Cl)c(Cl)cc1C=O
InChIKey: UUAVOMUOLIKJHY-UHFFFAOYSA-N
Molecular formula: C8H4Cl2O2
Average molar mass: 203.02 g/mol
Monoisotopic mass: 201.95883473

Names & identifiers

Preferred name: 1,2-Benzenedicarboxaldehyde, 4,5-dichloro-
IUPAC: 4,5-dichlorophthalaldehyde
English name: 1,2-Benzenedicarboxaldehyde, 4,5-dichloro-
Molecular formula: C8H4Cl2O2
Molecular weight: 203.02

Names & synonyms

13209-33-11,2-Benzenedicarboxaldehyde, 4,5-dichloro-DTXSID80431555RefChem:215468DTXCID303823864,5-dichlorophthalaldehyde4,5-dichlorobenzene-1,2-dicarbaldehydeSCHEMBL1953389SCHEMBL2344465SCHEMBL29556939dicarbaldehydedichlorobenzene-4,5-Dichlorophthalaldehyde

Database identifiers

CAS: 13209-33-1
PubChem CID: 9837109
DTXSID: DTXSID80431555
Nikkaji: J615.055A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 164

Physicochemical properties

Melting point: 134 °C · 134 °C
Boiling point: 324.6 · 324.6±42.0 °C(Predicted)
Density: 1.485 · 1.485±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05,GHS06,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H335-H411-H314
Precautionary statements: 260 · P260-P264-P270-P271-P273-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P391-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS09
Hazard statements: H301-H335-H411-H314
Precautionary statements: P260-P264-P270-P271-P273-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P391-P403+P233-P405-P501