7-Chloro-2-(4-chlorophenyl)-6-methylquinoline-4-carbonyl chloride
Basic information
- CAS
196712-30-8- Standard SMILES
Cc1cc2c(C(=O)Cl)cc(-c3ccc(Cl)cc3)nc2cc1Cl- InChIKey
QBXRHAPYOUSCES-UHFFFAOYSA-N- Molecular formula
- C17H10Cl3NO
- Average molar mass
- 350.6 g/mol
- Monoisotopic mass
- 348.982797
Names & identifiers
- Preferred name
- 7-Chloro-2-(4-chlorophenyl)-6-methylquinoline-4-carbonyl chloride
- IUPAC
- 7-chloro-2-(4-chlorophenyl)-6-methylquinoline-4-carbonyl chloride
- English name
- 7-Chloro-2-(4-chlorophenyl)-6-methylquinoline-4-carbonyl chloride
- Molecular formula
- C17H10Cl3NO
- Molecular weight
- 350.63
Names & synonyms
7-chloro-2-(4-chlorophenyl)-6-methylquinoline-4-carbonyl chloride196712-30-87-CHLORO-2-(4-CHLOROPHENYL)-6-METHYL-4-QUINOLINECARBONYL CHLORIDEAKOS0244320794-Quinolinecarbonyl chloride, 7-chloro-2-(4-chlorophenyl)-6-methyl-
Database identifiers
- CAS
196712-30-8- PubChem CID
- 4249503
- EC Number
- 118-597-2
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Boiling point
- 501.7 · 501.7±50.0 °C(Predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- pka
- -0.19 · -0.19±0.47(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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, 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. 4 (100%)
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Related reactions
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Compound notes
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