4-Chloro-1,2-dimethylquinolinium methyl sulfate
Basic information
- CAS
2654-51-5- Standard SMILES
COS(=O)(=O)O.Cc1cc(Cl)c2ccccc2[n+]1C- InChIKey
JKDFQYWASDRMOU-UHFFFAOYSA-N- Molecular formula
- C12H15ClNO4S+
- Average molar mass
- 304.77 g/mol
- Monoisotopic mass
- 304.0410318
Names & identifiers
- Preferred name
- 4-Chloro-1,2-dimethylquinolinium methyl sulfate
- IUPAC
- 4-chloro-1,2-dimethylquinolin-1-ium;methyl hydrogen sulfate
- English name
- 4-chloro-1,2-dimethylquinolin-1-ium methyl sulfate
- Molecular formula
- C12H14ClNO4S
- Molecular weight
- 303.76186
Names & synonyms
4-chloro-1,2-dimethylquinolinium methyl sulfateRefChem:520703653-053-24-chloro-1,2-dimethylquinolin-1-ium methyl sulfate
Database identifiers
- CAS
2654-51-5- PubChem CID
- 423894
- EC Number
- 653-053-2
Properties
Computed structural properties
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 287
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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