6-Methanesulfonylquinoline
Basic information
- CAS
89770-29-6- Standard SMILES
CS(=O)(=O)c1ccc2ncccc2c1- InChIKey
AUXTUJFKCPIINH-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.0353997
Names & identifiers
- Preferred name
- 6-Methanesulfonylquinoline
- IUPAC
- 6-methylsulfonylquinoline
- English name
- 6-(Methylsulfonyl)quinoline
- Molecular formula
- C10H9NO2S
- Molecular weight
- 207.25
Names & synonyms
6-methanesulfonylquinoline6-(Methylsulfonyl)quinoline89770-29-6DTXSID10332687RefChem:543527DTXCID50283780659-522-86-methylsulfonylquinolineQuinoline, 6-(methylsulfonyl)-6-methanesulfonyl-quinoline6-(Methanesulfonyl)quinolineSCHEMBL17442655
Show more names
AUXTUJFKCPIINH-UHFFFAOYSA-NPDA77029MFCD00092572AKOS024015290DB-118552CS-0257403ST50446262EN300-67210
Database identifiers
- CAS
89770-29-6- PubChem CID
- 459628
- DTXSID
DTXSID10332687- EC Number
- 659-522-8
- Nikkaji
- J1.588.393F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 294
Experimental & physicochemical properties
LogP0.7
Physicochemical properties
- Comptox DTXSID
- 10332687 · DTXSID10332687
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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