4-Chlorophthalamide
Basic information
- CAS
96385-49-8- Standard SMILES
NC(=O)c1ccc(Cl)cc1C(N)=O- InChIKey
YGIFSVAYJLFDLC-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2O2
- Average molar mass
- 198.6 g/mol
- Monoisotopic mass
- 198.0196052
Names & identifiers
- Preferred name
- 4-Chlorophthalamide
- IUPAC
- 4-chlorobenzene-1,2-dicarboxamide
- English name
- 1,2-BenzenedicarboxaMide, 4-chloro-
- Molecular formula
- C8H7ClN2O2
- Molecular weight
- 198.61
Names & synonyms
4-Chlorophthalamide96385-49-84-chlorobenzene-1,2-dicarboxamideMFCD20694476NSC338213SCHEMBL3790275DTXSID70318962NSC-338213F87593F8979521,2-BenzenedicarboxaMide, 4-chloro-
Database identifiers
- CAS
96385-49-8- PubChem CID
- 334020
- DTXSID
DTXSID70318962
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 194 · 194-196 °C (decomp)
- Boiling point
- 373.1 · 373.1±37.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15.03 · 15.03±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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