Basic information
- CAS
147540-88-3- Standard SMILES
Cc1cc[n+](F)c(S(=O)(=O)[O-])c1- InChIKey
CZLMNRIAOUVXNU-UHFFFAOYSA-N- Molecular formula
- C6H6FNO3S
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.00524227
Names & identifiers
- Preferred name
- N-Fluoro-4-methylpyridinium-2-sulfonate
- IUPAC
- 1-fluoro-4-methylpyridin-1-ium-2-sulfonate
- English name
- N-Fluoro-4-methylpyridinium-2-sulfonate
- Molecular formula
- C6H6FNO3S
- Molecular weight
- 191.18
Names & synonyms
147540-88-3N-Fluoro-4-methylpyridinium-2-sulfonate1-fluoro-4-methylpyridin-1-ium-2-sulfonateC6H6FNO3SPyridinium, 1-fluoro-4-methyl-2-sulfo-, inner salt1-fluoro-4-methyl-2-pyridin-1-iumsulfonateN-Fluoro-4-methylpyridinium-2-sulphonateSCHEMBL63731DTXSID50372042CZLMNRIAOUVXNU-UHFFFAOYSA-NMFCD00236128SBB091268
Show more names
DAIKIN MEC-02Pyridinium,1-fluoro-4-methyl-2-sulfo-, inner saltN-FLUORO-4-METHYLPYRIDINIUM-2-SULFONATE ISO 9001：2015 REACH
AKOS0062211991-fluoro-4-methylpyridine-2-sulfonic acidDB-0428871-fluoro-4-methyl-pyridin-1-ium-2-sulfonateF019185
Database identifiers
- CAS
147540-88-3- PubChem CID
- 2737404
- DTXSID
DTXSID50372042- Nikkaji
- J690.594C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 203 · 203-208°C (dec.)
- CAS DataBase Reference
- 147540 · 147540-88-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P305+P351+P338
Chemistry & industry
Suppliers8 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
4 records
Compound notes
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