2-(Trifluoromethyl)benzenesulfonyl fluoride
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Basic information
- CAS
52201-00-0- Standard SMILES
O=S(=O)(F)c1ccccc1C(F)(F)F- InChIKey
ZGHIWBACRZVGLY-UHFFFAOYSA-N- Molecular formula
- C7H4F4O2S
- Average molar mass
- 228.17 g/mol
- Monoisotopic mass
- 227.98681319
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)benzenesulfonyl fluoride
- IUPAC
- 2-(trifluoromethyl)benzenesulfonyl fluoride
- English name
- 2-(Trifluoromethyl)benzenesulfonyl fluoride
- Molecular formula
- C7H4F4O2S
- Molecular weight
- 228.16
Names & synonyms
2-(TRIFLUOROMETHYL)BENZENESULFONYL FLUORIDE52201-00-02-(trifluoromethyl)-benzenesulfonyl fluoride2-(trifluoromethyl)benzene-1-sulfonyl fluorideSCHEMBL27993982MFCD22192510AKOS034834138VS-0009NCGC00664813-01EN300-2244072-(TRIFLUOROMETHYL)BENZENESULFONYLFLUORIDE2-(Trifluoromethyl)benzenesulfonyl fluoride, 97%
Show more names
Benzenesulfonyl fluoride, 2-(trifluoromethyl)-2-(Trifluoromethyl)benzenesulfonyl fluoride 97%
Z1939447751Benzenesulfonyl fluoride, 2-(trifluoromethyl)- (9CI, ACI); 2-(Trifluoromethyl)benzenesulfonyl fluoride (ACI); 2-(Trifluoromethyl)benzene-1-sulfonyl fluoride; 2-Trifluoromethylbenzenesulfonyl fluoride
Database identifiers
- CAS
52201-00-0- PubChem CID
- 98462902
- EC Number
- 809-395-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 25 · 25-30°C
- form
- powder
- InChI
- 1S/C7H4F4O2S/c8-7(9,10)5-3-1-2-4-6(5)14(11,12)13/h1-4H
- InChIKey
- ZGHIWBACRZVGLY-UHFFFAOYSA-N
- SMILES
- FS(C1=C(C(F)(F)F)C=CC=C1)(=O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · UN 3261 8 / PGII
- WGK Germany
- 3 · 3
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8 / PGII
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8B - Non-combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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