Basic information
- CAS
6161-54-2- Standard SMILES
Fc1c(F)c(F)c(OC(F)(F)F)c(F)c1F- InChIKey
NOPMTKGVVHUQTC-UHFFFAOYSA-N- Molecular formula
- C7F8O
- Average molar mass
- 252.06 g/mol
- Monoisotopic mass
- 251.98213992
Names & identifiers
- Preferred name
- 1,2,3,4,5-Pentafluoro-6-(trifluoromethoxy)benzene
- IUPAC
- 1,2,3,4,5-pentafluoro-6-(trifluoromethoxy)benzene
- English name
- 1,2,3,4,5-Pentafluoro-6-(trifluoromethoxy)benzene
- Molecular formula
- C7F8O
- Molecular weight
- 252.06
Names & synonyms
1,2,3,4,5-pentafluoro-6-(trifluoromethoxy)benzene6161-54-2MFCD22580777perfluoroanisoleC7F8OSCHEMBL31171303NOPMTKGVVHUQTC-UHFFFAOYSA-NAKOS016016296MS-20749CS-0454188Benzene, 1,2,3,4,5-pentafluoro-6-(trifluoromethoxy)-
Database identifiers
- CAS
6161-54-2- PubChem CID
- 54122357
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 102 · 102-103 °C
- Density
- 1.662 g/cm3 · 1.662 g/cm3
- 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
Suppliers2 total
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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