Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate
Basic information
- CAS
64415-12-9- Standard SMILES
CCOC(=O)c1ccc2nc(-c3ccc(S(=O)(=O)F)cc3)cc(Cl)c2c1- InChIKey
IAEGOMJZXABRBV-UHFFFAOYSA-N- Molecular formula
- C18H13ClFNO4S
- Average molar mass
- 393.8 g/mol
- Monoisotopic mass
- 393.0237849
Names & identifiers
- Preferred name
- Ethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylate
- IUPAC
- ethyl 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-carboxylate
- English name
- ethyl 4-chloro-2-[4-(fluorosulphonyl)phenyl]quinoline-6-carboxylate
- Molecular formula
- C18H13ClFNO4S
- Molecular weight
- 393.82
Names & synonyms
64415-12-9Ethyl 4-chloro-2-(4-(fluorosulfonyl)phenyl)quinoline-6-carboxylateEthyl 4-chloro-2-[4-(fluorosulfonyl)phenyl]quinoline-6-carboxylateethyl 4-chloro-2-(4-fluorosulfonylphenyl)-6-quinolinecarboxylateEthyl 4-chloro-2-(4-(fluorosulphonyl)phenyl)quinoline-6-carboxylateETHYL 4-CHLORO-2-[4-(FLUOROSULPHONYL)PHENYL]QUINOLINE-6-CARBOXYLATENSC123539SCHEMBL6525911DTXSID10982989EINECS 264-878-9NSC125094AKOS024429548
Show more names
ethyl 4-chlorofluorosulfonylphenyl-6-quinolinecarboxylate4-Chloro-2-[4-(fluorosulfonyl)phenyl]-6-quinolinecarboxylic acid ethyl ester6-Quinolinecarboxylic acid, 4-chloro-2-[4-(fluorosulfonyl)phenyl]-, ethyl ester
NSC 123539NSC 125094NSC-123539NSC-125094SB73033DB-308015NS00053183Ethyl 4-chloro-2-(para-fluorosulfonylphenyl)-6-quinolinecarboxylate
Database identifiers
- CAS
64415-12-9- PubChem CID
- 97450
- DTXSID
DTXSID10982989- EC Number
- 264-878-9
- Nikkaji
- J124.138I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 603
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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