(3-Chlorobenzoyl) 3-chlorobenzoate
Basic information
- CAS
30070-63-4- Standard SMILES
O=C(OC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1- InChIKey
NIHKFGMYMWGERR-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2O3
- Average molar mass
- 295.1 g/mol
- Monoisotopic mass
- 293.9850495
Names & identifiers
- Preferred name
- (3-Chlorobenzoyl) 3-chlorobenzoate
- IUPAC
- (3-chlorobenzoyl) 3-chlorobenzoate
- English name
- 3-CHLOROBENZOIC ANHYDRIDE
- Molecular formula
- C14H8Cl2O3
- Molecular weight
- 295.12
Names & synonyms
(3-chlorobenzoyl) 3-chlorobenzoate30070-63-43-Chlorobenzoic anhydridem-chlorobenzoic anhydrideBenzoic acid, 3-chloro-, anhydrideBupropion Impurity N1SCHEMBL23811763-chloro-benzoic acid anhydrideSCHEMBL31001112DTXSID80343088(3-chlorobenzoyl)3-chlorobenzoateMFCD00224661
Show more names
Tetrahydrozoline Impurity 7Bis(3-chlorobenzoic)anhydrideBis(m-chlorobenzoic) anhydrideBis(m-chlorobenzoic acid)anhydrideBenzoic acid, 3-chloro-, 1,1'-anhydride
AKOS024331264
Database identifiers
- CAS
30070-63-4- PubChem CID
- 587349
- DTXSID
DTXSID80343088- Nikkaji
- J152.924B
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 95 °C · 95 °C(Solv: ethanol (64-17-5))
- Boiling point
- 441.9 · 441.9±30.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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