Basic information
- CAS
13235-60-4- Standard SMILES
COc1ccc(C(=O)Cl)cc1C(=O)Cl- InChIKey
FKPCRVTXBLUQBV-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2O3
- Average molar mass
- 233.04 g/mol
- Monoisotopic mass
- 231.9693994
Names & identifiers
- Preferred name
- 4-Methoxyisophthaloyl dichloride
- IUPAC
- 4-methoxybenzene-1,3-dicarbonyl chloride
- English name
- 4-methoxyisophthaloyl dichloride
- Molecular formula
- C9H6Cl2O3
- Molecular weight
- 233.05
Names & synonyms
4-Methoxyisophthaloyl dichloride13235-60-44-methoxybenzene-1,3-dicarbonyl chloride1,3-Benzenedicarbonyl dichloride, 4-methoxy-4-methoxy-1,3-benzenedicarbonyl dichlorideEINECS 236-209-04-methoxybenzene-1,3-dicarbonyl dichlorideSCHEMBL2269163DTXSID601575044-methoxyl-isophthaloyl dichlorideNS000242094-Methoxy-1,3-benzenedicarboxylic acid dichloride
Database identifiers
- CAS
13235-60-4- PubChem CID
- 83256
- DTXSID
DTXSID60157504- EC Number
- 236-209-0
- Nikkaji
- J213.766F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 344.5 · 344.5±22.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
2 records
Compound notes
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