Basic information
- CAS
110471-69-7- Standard SMILES
O=C(O)c1cccc(Cl)c1C(=O)O- InChIKey
BKFXSOCDAQACQM-UHFFFAOYSA-N- Molecular formula
- C8H5ClO4
- Average molar mass
- 200.57 g/mol
- Monoisotopic mass
- 199.98763632
Names & identifiers
- Preferred name
- 3-Chlorophthalic acid
- IUPAC
- 3-chlorophthalic acid
- English name
- 3-chlorophthalic acid
- Molecular formula
- C8H5ClO4
- Molecular weight
- 200.58
Names & synonyms
3-Chlorophthalic acid27563-65-1RefChem:1067632248-527-73-Chloro-phthalic acidMFCD00100580110471-69-71,2-Benzenedicarboxylic acid, 3-chloro-3-chlorophthalicacid3-chlorobenzene-1,2-dicarboxylic acidPhthalic acid, 3-chloro-3-chloro-1,2-benzenedicarboxylic acid
Show more names
3-Chlorophthalicaci
Chlorophthalic acidNSC62536EINECS 248-527-73-Chlor-phthalsaure1, 3-chloro-Maybridge4_000449NCIOpen2_002770SCHEMBL275485
Database identifiers
- CAS
110471-69-7、27563-65-1- PubChem CID
- 96254
- DTXSID
DTXSID10911698- EC Number
- 248-527-7
- Nikkaji
- J141.262K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 287.96 °C · 287.96°C (rough estimate)
- Density
- 1.4623 · 1.4623 (rough estimate)
- refractive index
- 1.4327 · 1.4327 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to light yellow Solid
- Water Solubility
- 21.2 g/L · 21.2g/L(14 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers36 total
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Related reactions
6 records
Compound notes
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