2-(2,5-Dimethylbenzoyl)benzoic acid
Basic information
- CAS
60288-22-4- Standard SMILES
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)O)c1- InChIKey
ZQICWAIMLICSMQ-UHFFFAOYSA-N- Molecular formula
- C16H14O3
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.0942943
Names & identifiers
- Preferred name
- 2-(2,5-Dimethylbenzoyl)benzoic acid
- IUPAC
- 2-(2,5-dimethylbenzoyl)benzoic acid
- English name
- 2-(2,5-DIMETHYL-BENZOYL)-BENZOIC ACID
- Molecular formula
- C16H14O3
- Molecular weight
- 254.28
Names & synonyms
2-(2,5-Dimethylbenzoyl)benzoic acidDTXSID50975698RefChem:452083DTXCID601403093658-845-160288-22-42-(2,5-dimethyl-benzoyl)-benzoic acidMFCD00043499Benzoic acid, 2-(2,5-dimethylbenzoyl)-2-[(2,5-dimethylphenyl)carbonyl]benzoic acidNSC148549Cambridge id 5137232
Show more names
2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid
Oprea1_619043SCHEMBL7648043ALBB-0255172-(2,5-Dimethylbenzoyl)benzoicacid2-(2.5-Dimethylbenzoyl)benzoesaure2'-Carboxy-2,5-dimethylbenzophenone2,5-dimethyl-2'-carboxybenzophenoneSBB072109
Database identifiers
- CAS
60288-22-4- PubChem CID
- 288085
- DTXSID
DTXSID50975698- EC Number
- 658-845-1
- Nikkaji
- J1.399.243F
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
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H400
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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 39 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
- H319-H302-H400
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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