Basic information
- CAS
3885-88-9- Standard SMILES
O=C(c1ccccc1)c1ccc(C(=O)O)c(C(=O)O)c1- InChIKey
ZZVNHEZUTFXFHU-UHFFFAOYSA-N- Molecular formula
- C15H10O5
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.05282342
Names & identifiers
- Preferred name
- 4-Benzoylphthalic acid
- IUPAC
- 4-benzoylphthalic acid
- English name
- 4-benzoyl-phthalic acid
- Molecular formula
- C15H10O5
- Molecular weight
- 270.24
Names & synonyms
4-Benzoylphthalic acid3885-88-9DTXSID20332491RefChem:290288DTXCID10283584MFCD001932804-(phenylcarbonyl)benzene-1,2-dicarboxylic acid4-BenzoylphthalicAcid1,2-Benzenedicarboxylic acid, 4-benzoyl-3-Benzoylphthalsaure4-BENZOYLBENZENE-1,2-DICARBOXYLIC ACIDOprea1_159617
Show more names
4-benzoyl-phthalic acid4-benzoyl-1,2-benzenedicarboxylic acid
Oprea1_173374CBDivE_006116MLS000104826SCHEMBL1295856CHEMBL1883498HMS1680A17HMS2744C21AC1888
Database identifiers
- CAS
3885-88-9- PubChem CID
- 458243
- DTXSID
DTXSID20332491- ChEMBL
CHEMBL1883498- Nikkaji
- J1.309.765H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 326 · 326-327 °C
- Boiling point
- 520.8 · 520.8±45.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.84 · 2.84±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers6 total
韶远科技(上海)有限公司4000665055 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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