Basic information
- CAS
186386-91-4- Standard SMILES
O=[N+]([O-])c1ccc(F)cc1OCC(F)(F)F- InChIKey
USOVRXNIZFSGEU-UHFFFAOYSA-N- Molecular formula
- C8H5F4NO3
- Average molar mass
- 239.12 g/mol
- Monoisotopic mass
- 239.02055567
Names & identifiers
- Preferred name
- 4-Fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)benzene
- IUPAC
- 4-fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)benzene
- English name
- 4-Fluoro-2-(2,2,2-trifluoroethoxy)nitrobenzene
- Molecular formula
- C8H5F4NO3
- Molecular weight
- 239.12
Names & synonyms
4-Fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)benzene186386-91-44-fluoro-2-(2,2,2-trifluoroethoxy)nitrobenzeneMFCD21605381SCHEMBL310373SCHEMBL29597620AS-0705SY315602E77263F8479355-fluoro-2-nitrophenyl 2,2,2-trifluoroethyl ether4-Fluoro-1-nitro-2-(2,2,2-trifluoro-ethoxy)-benzene
Show more names
4-fluoro-1-nitro-2-[(2,2,2-trifluoroethyl)oxy]benzeneBenzene, 4-fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)-
Database identifiers
- CAS
186386-91-4- PubChem CID
- 54370116
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 244.2 · 244.2±40.0 °C(Predicted)
- Density
- 1.472 · 1.472±0.06 g/cm3(Predicted)
- HS Code
- 2909309090 · 2909309090
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
- 2909309090
Chemistry & industry
Suppliers10 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
11 records
Compound notes
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