Benzoic acid, 2-(3-chlorobenzoyl)-
Basic information
- CAS
13450-37-8- Standard SMILES
O=C(O)c1ccccc1C(=O)c1cccc(Cl)c1- InChIKey
FSMXJLAATHSRCB-UHFFFAOYSA-N- Molecular formula
- C14H9ClO3
- Average molar mass
- 260.67 g/mol
- Monoisotopic mass
- 260.0240218
Names & identifiers
- Preferred name
- Benzoic acid, 2-(3-chlorobenzoyl)-
- IUPAC
- 2-(3-chlorobenzoyl)benzoic acid
- English name
- 2-(3-chlorobenzoyl)benzoic acid
- Molecular formula
- C14H9ClO3
- Molecular weight
- 260.67
Names & synonyms
2-(3-Chlorobenzoyl)benzoic acidBenzoic acid, 2-(3-chlorobenzoyl)-EINECS 236-606-9DTXSID2065464RefChem:118323DTXCID6034219236-606-913450-37-8CHEMBL840092-(3-Chloro-benzoyl)-benzoic acid2-(3-Chlorobenzoyl)benzoicacid8SJ3S85YMB
Show more names
RS RMA03331Chlortalidone Impurity 27Chlorthalidone Impurity 2
SCHEMBL9197822o-(m-Chlorobenzoyl)benzoic acidSCHEMBL307047292-(m-Chlorobenzoyl)benzoic acidFSMXJLAATHSRCB-UHFFFAOYSA-NBDBM50145846MFCD00020286DA-11918
Database identifiers
- CAS
13450-37-8- PubChem CID
- 83474
- DTXSID
DTXSID2065464- ChEMBL
CHEMBL84009- UNII
- 8SJ3S85YMB
- EC Number
- 236-606-9
- Nikkaji
- J317.890K
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- 2 · Benzoic acid, 2-(3-chlorobenzoyl)- (13450-37-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(3-chlorobenzoyl)-: INACTIVE
Applications
Uses2-(3-Chlorobenzoyl)benzoic Acid, is an impurity of Chlorthalidone (C427500), used as a diuretic; antihypertensive.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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