2-[(4-Methoxy-3-nitrophenyl)sulfonyl]ethanol
Basic information
- CAS
52398-83-1- Standard SMILES
COc1ccc(S(=O)(=O)CCO)cc1[N+](=O)[O-]- InChIKey
XIPJCKZGPTYNFJ-UHFFFAOYSA-N- Molecular formula
- C9H11NO6S
- Average molar mass
- 261.25 g/mol
- Monoisotopic mass
- 261.03070824
Names & identifiers
- Preferred name
- 2-[(4-Methoxy-3-nitrophenyl)sulfonyl]ethanol
- IUPAC
- 2-(4-methoxy-3-nitrophenyl)sulfonylethanol
- English name
- 2-[(4-methoxy-3-nitrophenyl)sulphonyl]ethanol
- Molecular formula
- C9H11NO6S
- Molecular weight
- 261.25
Names & synonyms
EINECS 257-894-22-(4-methoxy-3-nitrophenyl)sulfonylethanolEthanol, 2-[(4-methoxy-3-nitrophenyl)sulfonyl]-2-[(4-methoxy-3-nitrophenyl)sulfonyl]ethanol4847F9B6C4Ethanol, 2-((4-methoxy-3-nitrophenyl)sulfonyl)-DTXSID30687522-((4-Methoxy-3-nitrophenyl)sulfonyl)ethanol2-((4-Methoxy-3-nitrophenyl)sulphonyl)ethanol2-[(4-methoxy-3-nitrophenyl)sulphonyl]ethanol2-(4-METHOXY-3-NITROPHENYL)SULPHONYLETHANOLETHANOL, 2-((4-METHOXY-3-NITROPHENYL)SULPHONYL)-
Show more names
RefChem:197509DTXCID604118752398-83-1SCHEMBL10669901UNII-4847F9B6C4DB-260482NS000325012-nitro-4-(beta-hydroxyethylsulfonyl)-anisole
Database identifiers
- CAS
52398-83-1- PubChem CID
- 104189
- DTXSID
DTXSID3068752- UNII
- 4847F9B6C4
- EC Number
- 257-894-2
- Nikkaji
- J31.148K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- FDA UNII
- 4847 F9B6C4 · 4847F9B6C4
- EPA Substance Registry System
- 2 · Ethanol, 2-[(4-methoxy-3-nitrophenyl)sulfonyl]- (52398-83-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-[(4-methoxy-3-nitrophenyl)sulfonyl]-: INACTIVE
Related reactions
1 records
Compound notes
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