7-Chlorophthalide

HCID 299174

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 70097-45-9
Standard SMILES: O=C1OCc2cccc(Cl)c21
InChIKey: LLKCTHJTJUDDMG-UHFFFAOYSA-N
Molecular formula: C8H5ClO2
Average molar mass: 168.57 g/mol
Monoisotopic mass: 167.99780708

Names & identifiers

Preferred name: 7-Chlorophthalide
IUPAC: 7-chloro-3H-2-benzofuran-1-one
English name: 7-Chlorophthalide
Molecular formula: C8H5ClO2
Molecular weight: 168.58

Names & synonyms

7-CHLOROPHTHALIDE70097-45-97-Chloroisobenzofuran-1(3H)-one7-chloro-3H-2-benzofuran-1-oneMFCD099096357-CHLORO-3H-ISOBENZOFURAN-1-ONE7-chloro-1,3-dihydro-2-benzofuran-1-one1(3H)-Isobenzofuranone, 7-chloro-NSC171642SCHEMBL854978DTXSID00305769LLKCTHJTJUDDMG-UHFFFAOYSA-N

Show more names

N,N,3,7-tetramethylaniline

7-Chloro-2-benzofuran-1(3H)-oneAKOS006312126NSC 171642NSC-171642BS-23452SY001015CS-0205223N12505

Database identifiers

CAS: 70097-45-9
PubChem CID: 299174
DTXSID: DTXSID00305769

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 181

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 149 °C · 149 °C
Boiling point: 363.6 · 363.6±42.0 °C(Predicted)
Density: 1.428 · 1.428±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2932990090 · 2932990090