1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidin-4-ol
Basic information
- CAS
702650-29-1- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(O)CC1- InChIKey
YCLQAAVUHAWJKH-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2O3
- Average molar mass
- 290.24 g/mol
- Monoisotopic mass
- 290.08782677
Names & identifiers
- Preferred name
- 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperidin-4-ol
- IUPAC
- 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-ol
- English name
- 1-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERIDIN-4-OL
- Molecular formula
- C12H13F3N2O3
- Molecular weight
- 290.24
Names & synonyms
702650-29-11-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-ol1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidin-4-ol1-[2-nitro-4-(trifluoromethyl)phenyl]-piperidin-4-olMFCD04219156MLS000625034CHEMBL1510691HMS2662I04AKOS001302173UPCMLD0ENAT5672961:001SMR000293802CS-0133251
Show more names
4-Piperidinol, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
H91630SR-01000273850SR-01000273850-11-(4-(trifluoromethyl)-2-nitrophenyl)piperidin-4-ol1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinolZ31188998
Database identifiers
- CAS
702650-29-1- PubChem CID
- 2952693
- ChEMBL
CHEMBL1510691
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 93 · 93
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
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Related reactions
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Compound notes
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