2-Nitrobenzenesulfonyl fluoride
Basic information
- CAS
433-98-7- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)F- InChIKey
HSQIQAVSSNKMBM-UHFFFAOYSA-N- Molecular formula
- C6H4FNO4S
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 204.98450694
Overview
a phospholipase A2 inhibitor
Names & identifiers
- Preferred name
- 2-Nitrobenzenesulfonyl fluoride
- IUPAC
- 2-nitrobenzenesulfonyl fluoride
- English name
- 2-Nitro-benzenesulfonyl fluoride
- Molecular formula
- C6H4FNO4S
- Molecular weight
- 205.16
Names & synonyms
2-Nitrobenzenesulfonyl fluoride433-98-72-Nitrobenzenesulphonyl fluorideC7WX6R7FE9NSC-119099DTXSID50195819NBSF cpdRefChem:88708DTXCID40118310207-094-42-Nitrobenzene-1-sulfonyl fluoride2-Nitro-benzenesulfonyl fluoride
Show more names
NBSF2-NITROPHENYLSULFONYLFLUORIDE2-NITROBENZENESULFONYL FLUOROIDE
o-Nitrobenzenesulfonyl fluorideBenzenesulfonyl fluoride, 2-nitro-MFCD00007413Benzenesulfonyl fluoride, o-nitro-2-Nitrophenylsulfonyl fluoride2-nitro-benzenesulfonylfluorideEINECS 207-094-4UNII-C7WX6R7FE9
Database identifiers
- CAS
433-98-7- PubChem CID
- 97375
- DTXSID
DTXSID50195819- UNII
- C7WX6R7FE9
- EC Number
- 207-094-4
- Nikkaji
- J196.124A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 56 · 56-60°C
- Boiling point
- 306 · 306.0±25.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- Appearance
- White to off-white Solid
- FDA UNII
- 7 WX6R7FE9 · C7WX6R7FE9
- 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 · 3261
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
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
- 3261
- hs_code
- 2904200090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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