Basic information
- CAS
847-51-8- Standard SMILES
Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1- InChIKey
STPOJASQXPXVMS-UHFFFAOYSA-N- Molecular formula
- C10H7F7N2O2
- Average molar mass
- 320.16 g/mol
- Monoisotopic mass
- 320.0395746
Names & identifiers
- Preferred name
- N-(4-Amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutyramide
- IUPAC
- N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
- English name
- N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutyramide
- Molecular formula
- C10H7F7N2O2
- Molecular weight
- 320.1636024
Names & synonyms
847-51-8N-(4-Amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutyramideButanamide, N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluoro-EINECS 212-692-3DTXSID3061211Butyranilide, 4'-amino-2,2,3,3,4,4,4-heptafluoro-2'-hydroxy-RefChem:827093DTXCID4048430212-692-3N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamideSCHEMBL109505372-heptafluorobutanamido-5-aminophenol
Show more names
N-(2-Hydroxy-4-aminophenyl)-2,2,3,3,4,4,4-heptafluorobutyramide
NS00009203
Database identifiers
- CAS
847-51-8- PubChem CID
- 70060
- DTXSID
DTXSID3061211- EC Number
- 212-692-3
- Nikkaji
- J29.356C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Henry's Law Constant
- 2 · 2.0×108 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPA Substance Registry System
- 4 · Butanamide, N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluoro- (847-51-8)
- 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.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationButanamide, N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluoro-: INACTIVE
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
1 records
Compound notes
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