Basic information
- CAS
64857-70-1- Standard SMILES
[O-][N+](=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
NLLGREOVFJGJFG-UHFFFAOYSA-N- Molecular formula
- C16H6F12N2O
- Average molar mass
- 470.21 g/mol
- Monoisotopic mass
- 470.0288508
Names & identifiers
- Preferred name
- [3,5-Bis(trifluoromethyl)phenyl]-[3,5-bis(trifluoromethyl)phenyl]imino-oxidoazanium
- IUPAC
- [3,5-bis(trifluoromethyl)phenyl]-[3,5-bis(trifluoromethyl)phenyl]imino-oxidoazanium
- English name
- 3,3'',5,5''-TETRAKIS(TRIFLUOROMETHYL)AZOXYBENZENE
- Molecular formula
- C16H6F12N2O
- Molecular weight
- 470.21
Names & synonyms
64857-70-11,2-di[3,5-di(trifluoromethyl)phenyl]diaz-1-en-1-ium-1-olate[3,5-bis(trifluoromethyl)phenyl]-[3,5-bis(trifluoromethyl)phenyl]imino-oxidoazanium1-{(Z)-[3,5-Bis(trifluoromethyl)phenyl]-NNO-azoxy}-3,5-bis(trifluoromethyl)benzene3,3'',5,5''-TETRAKIS(TRIFLUOROMETHYL)AZOXYBENZENEDTXSID20381601AKOS0243193223,3',5,5'-TETRAKIS(TRIFLUOROMETHYL)AZOXYBENZENEDiazene, bis[3,5-bis(trifluoromethyl)phenyl]-, 1-oxide (9CI)
Database identifiers
- CAS
64857-70-1- PubChem CID
- 2779929
- DTXSID
DTXSID20381601
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2929900090 · 2929900090
Safety & regulation
Safety data
- hs_code
- 2929900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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