Basic information
- CAS
54672-11-6- Standard SMILES
O=[N+]([O-])c1ccc(N2CCOCC2)c(C(F)(F)F)c1- InChIKey
INQHSXGCAZQBBH-UHFFFAOYSA-N- Molecular formula
- C11H11F3N2O3
- Average molar mass
- 276.21 g/mol
- Monoisotopic mass
- 276.07217687
Names & identifiers
- Preferred name
- 4-(4-Nitro-2-(trifluoromethyl)phenyl)morpholine
- IUPAC
- 4-[4-nitro-2-(trifluoromethyl)phenyl]morpholine
- English name
- 2-Morpholino-5-nitrobenzotrifluoride
- Molecular formula
- C11H11F3N2O3
- Molecular weight
- 276.21
Names & synonyms
54672-11-64-[4-Nitro-2-(trifluoromethyl)phenyl]morpholine4-(4-Nitro-2-(trifluoromethyl)phenyl)morpholineDTXSID90346505RefChem:288198DTXCID80297577INQHSXGCAZQBBH-UHFFFAOYSA-N2-Morpholino-5-nitrobenzotrifluorideMFCD001000934-[4-Nitro-2-(trifluoromethyl)phenyl]-morpholineMorpholine, 4-[4-nitro-2-(trifluoromethyl)phenyl]-4-(4-Nitro-2-trifluoromethyl-phenyl)-morpholine
Show more names
SCHEMBL3212217SCHEMBL31265644ALBB-024056SBB006418STK147722AKOS000427489ST049194CS-0208391
Database identifiers
- CAS
54672-11-6- PubChem CID
- 612856
- DTXSID
DTXSID90346505
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
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
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
6 records
Compound notes
Loading…