Basic information
- CAS
596-29-2- Standard SMILES
O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21- InChIKey
WUBNJKMFYXGQDB-UHFFFAOYSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- Mls002608257
- IUPAC
- 3,3-diphenyl-2-benzofuran-1-one
- English name
- phthalophenone
- Molecular formula
- C20H14O2
- Molecular weight
- 286.32
Names & synonyms
596-29-2MLS002608257DTXSID50285148RefChem:357140DTXCID30236299phthalophenone3,3-diphenyl-2-benzofuran-1-one3,3-Diphenyl-2-benzofuran-1(3H)-one3,3-Diphenylisobenzofuran-1(3H)-one1(3H)-Isobenzofuranone, 3,3-diphenyl-Diphenylphthalid3,3-DIPHENYL PHTHALIDE
Show more names
3,3-di(phenyl)-2-benzofuran-1-one
NSC406543,3-Diphenyl-1(3H)-isobenzofuranoneTriphenylcarbinol-o-carboxylic anhydrideSCHEMBL3886398CHEMBL17011393,3-diphenylisobenzofuran-1-oneHMS3078B083,3-di(phenyl)isobenzofuran-1-one
Database identifiers
- CAS
596-29-2- PubChem CID
- 237296
- DTXSID
DTXSID50285148- ChEMBL
CHEMBL1701139- Nikkaji
- J134.368H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Melting point
- 120 °C · 120°C
- Boiling point
- 388.69 °C · 388.69°C (rough estimate)
- Density
- 1.1197 · 1.1197 (rough estimate)
- refractive index
- 1.644 · 1.6440 (estimate)
- Water Solubility
- 40 mg/L · 40mg/L(25 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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