2-(2-Phenylacetyl)benzoic acid
Basic information
- CAS
33148-55-9- Standard SMILES
O=C(O)c1ccccc1C(=O)Cc1ccccc1- InChIKey
NJXDTGLUPRKMFN-UHFFFAOYSA-N- Molecular formula
- C15H12O3
- Average molar mass
- 240.25 g/mol
- Monoisotopic mass
- 240.07864424
Names & identifiers
- Preferred name
- 2-(2-Phenylacetyl)benzoic acid
- IUPAC
- 2-(2-phenylacetyl)benzoic acid
- English name
- 2-(Phenylacetyl)benzoic acid
- Molecular formula
- C15H12O3
- Molecular weight
- 240.25
Names & synonyms
33148-55-92-(2-phenylacetyl)benzoic acid2-(Phenylacetyl)benzoic acidDesoxybenzoin-2-carboxylic acid2-Phenylacetylbenzoic acid2-Phenylacetophonone-o-carboxylic acidBENZOIC ACID, 2-PHENYLACETYL-F 1244Benzoic acid, 2-(phenylacetyl)-YHT7FG62SANSC 401494BRN 2374544
Show more names
F-1244Azelastine Impurity 15
Acide (phenacetyl)-2 benzoiqueAcide (phenacetyl)-2 benzoique [French]Benzoic acid, 2-(2-phenylacetyl)-UNII-YHT7FG62SANSC-401494DTXSID201867994-10-00-02987 (Beilstein Handbook Reference)RefChem:84114
Database identifiers
- CAS
33148-55-9- PubChem CID
- 36343
- DTXSID
DTXSID20186799- UNII
- YHT7FG62SA
- EC Number
- 917-530-1
- Nikkaji
- J54.466C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 176 · 176-177 °C
- Boiling point
- 430.9 · 430.9±28.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 3.39 · 3.39±0.36(Predicted)
- FDA UNII
- 7 FG62SA · YHT7FG62SA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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