2-(2,4-Dimethylbenzoyl)benzoic acid
Basic information
- CAS
2346-63-6- Standard SMILES
Cc1ccc(C(=O)c2ccccc2C(=O)O)c(C)c1- InChIKey
WIJXLAAOWGSOMB-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- 2-(2,4-Dimethylbenzoyl)benzoic acid
- IUPAC
- 2-(2,4-dimethylbenzoyl)benzoic acid
- English name
- Benzoic acid,2-(2,4-dimethylbenzoyl)-
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
2-(2,4-dimethylbenzoyl)benzoic acid2346-63-6DTXSID90946125RefChem:452004DTXCID901374417662-319-72-[(2,4-dimethylphenyl)carbonyl]benzoic acidMFCD00157029NSC59921Cambridge id 5137235Oprea1_177880Oprea1_503124
Show more names
Benzoic acid,2-(2,4-dimethylbenzoyl)-2,2,5,7-tetramethyl-1-oxo-3H-indene-4-carboxylic acid
SCHEMBL1787143WIJXLAAOWGSOMB-UHFFFAOYSA-NHMS1577N042-(2,4-dimethylbenzoyl)benzoicacid2-(2.4-Dimethylbenzoyl)benzoesaureNSC-59921SBB023382STK350541
Database identifiers
- CAS
2346-63-6- PubChem CID
- 246609
- DTXSID
DTXSID90946125- EC Number
- 662-319-7
- Nikkaji
- J3.193.632B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 139 · 139-140 °C(Solv: benzene (71-43-2))
- Boiling point
- 446.5 · 446.5±33.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- pka
- 3.33 · 3.33±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H400-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Suppliers
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Related reactions
3 records
Compound notes
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