2-Nitro-4-(pentafluorosulfanyl)phenol
Basic information
- CAS
1159512-26-1- Standard SMILES
O=[N+]([O-])c1cc(S(F)(F)(F)(F)F)ccc1O- InChIKey
YEHHRNDFXUQGET-UHFFFAOYSA-N- Molecular formula
- C6H4F5NO3S
- Average molar mass
- 265.16 g/mol
- Monoisotopic mass
- 264.98320497
Names & identifiers
- Preferred name
- 2-Nitro-4-(pentafluorosulfanyl)phenol
- IUPAC
- 2-nitro-4-(pentafluoro-λ6-sulfanyl)phenol
- English name
- 4-Hydroxy-3-nitrophenylsulphur pentafluoride
- Molecular formula
- C6H4F5NO3S
- Molecular weight
- 265.16
Names & synonyms
1159512-26-12-NITRO-4-(PENTAFLUOROSULFANYL)PHENOL4-Hydroxy-3-nitrophenylsulphur pentafluoride2-nitro-4-(pentafluoro-lambda6-sulfanyl)phenolMFCD115010524-Hydroxy-3-nitrophenylsulfur pentafluoride2-Nitro-4-(pentafluoro-|E6-sulfanyl)phenolSCHEMBL21885660DTXSID90672876SBB102899AKOS016015471AKOS025296394
Show more names
2-Nitro-4-(pentafluoro-λ6-sulfanyl)phenol4-Hydroxy-3-nitropentafluorosulphanylbenzene2-Nitro-4-(pentafluorothio)phenol, 2-Hydroxy-5-(pentafluorothio)nitrobenzene
AS-384432-nitro-4-(pentafluoro-|E?-sulfanyl)phenolCS-03251692-Nitro-4-(pentafluoro-lambda~6~-sulfanyl)phenolSulfur, pentafluoro(4-hydroxy-3-nitrophenyl)-, (OC-6-21)-
Database identifiers
- CAS
1159512-26-1- PubChem CID
- 45933652
- DTXSID
DTXSID90672876- Nikkaji
- J2.988.062J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- form
- liquid
- color
- Clear, dark orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,T
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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