2-Amino-6-nitro-4-(tert-pentyl)phenol
Basic information
- CAS
83488-02-2- Standard SMILES
CCC(C)(C)c1cc(N)c(O)c([N+](=O)[O-])c1- InChIKey
WLJLENRIPLYJSZ-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- 2-Amino-6-nitro-4-(tert-pentyl)phenol
- IUPAC
- 2-amino-4-(2-methylbutan-2-yl)-6-nitrophenol
- English name
- 4-tert-Amyl-2-amino-6-nitrophenol
- Molecular formula
- C11H16N2O3
- Molecular weight
- 224.26
Names & synonyms
2-Amino-6-nitro-4-(tert-pentyl)phenolEINECS 280-465-6RefChem:464805280-465-64-tert-Amyl-2-amino-6-nitrophenol83488-02-22-amino-4-(2-methylbutan-2-yl)-6-nitrophenol2-Amino-4-(1,1-dimethylpropyl)-6-nitrophenolSCHEMBL7908796DTXSID601003473AKOS015890006AC-11373
Show more names
2-AMINO-4-T-PENTYL-6-NITROPHENOL2-Amino-4-tert-amyl-6-nitrophenol4-tert-aMyl-2-aMino-6-nitropbenol2-Amino-4-tert-pentyl-6-nitrophenol2-amino-4-(2-methylpentan-2-yl)-6-nitrophenol2-AMINO-4-(1,1-DIMETHYL-PROPYL)-6-NITRO-PHENOLPhenol, 2-amino-4-(1,1-dimethylpropyl)-6-nitro-
NS00059691
Database identifiers
- CAS
83488-02-2- PubChem CID
- 5743751
- DTXSID
DTXSID601003473- EC Number
- 280-465-6
- Nikkaji
- J60.153E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 69 · 69~75℃
- Boiling point
- 324.8 · 324.8±42.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 7.22 · 7.22±0.50(Predicted)
- CAS DataBase Reference
- 83488 · 83488-02-2(CAS DataBase Reference)
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
This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.
Not Classified
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
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Compound notes
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