N-[(4-Chlorophenyl)methylidene]-2-phenylquinoline-4-carbohydrazonic acid
Basic information
- CAS
6956-51-0- Standard SMILES
O=C(NN=Cc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12- InChIKey
DDOJVMQCMWJWBI-UHFFFAOYSA-N- Molecular formula
- C23H16ClN3O
- Average molar mass
- 385.8 g/mol
- Monoisotopic mass
- 385.0981898
Names & identifiers
- Preferred name
- N-[(4-Chlorophenyl)methylidene]-2-phenylquinoline-4-carbohydrazonic acid
- IUPAC
- N-[(4-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
- English name
- 4-Quinolinecarboxylicacid, 2-phenyl-, 2-[(4-chlorophenyl)methylene]hydrazide
- Molecular formula
- C23H16ClN3O
- Molecular weight
- 385.85
Names & synonyms
6956-51-0DTXSID70989595AKOS030656625N-[(4-Chlorophenyl)methylidene]-2-phenylquinoline-4-carbohydrazonic acidN'-[(4-CHLOROPHENYL)METHYLIDENE]-2-PHENYLQUINOLINE-4-CARBOHYDRAZIDE2-PHENYL-QUINOLINE-4-CARBOXYLIC ACID (4-CHLORO-BENZYLIDENE)-HYDRAZIDEN'-[(E)-(4-chlorophenyl)methylidene]-2-phenylquinoline-4-carbohydrazide4-Quinolinecarboxylicacid, 2-phenyl-, 2-[(4-chlorophenyl)methylene]hydrazide
Database identifiers
- CAS
6956-51-0- PubChem CID
- 248328
- DTXSID
DTXSID70989595- EC Number
- 157-741-9
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Melting point
- 244 · 244-246 °C(Solv: acetone (67-64-1); water (7732-18-5))
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 10.73 · 10.73±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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