Basic information
- CAS
104315-86-8- Standard SMILES
FC(F)(F)CCCc1ccccc1- InChIKey
UCWCZSLUBQJLEY-UHFFFAOYSA-N- Molecular formula
- C10H11F3
- Average molar mass
- 188.19 g/mol
- Monoisotopic mass
- 188.08128484
Names & identifiers
- Preferred name
- 4,4,4-Trifluorobutylbenzene
- IUPAC
- 4,4,4-trifluorobutylbenzene
- English name
- (4,4,4-Trifluorobut-1-yl)benzene 97
- Molecular formula
- C10H11F3
- Molecular weight
- 188.19
Names & synonyms
4,4,4-trifluorobutylbenzene104315-86-8DTXSID50380364RefChem:284719DTXCID90331390(4,4,4-trifluorobutyl)benzeneBenzene,(4,4,4-trifluorobutyl)-(4,4,4-Trifluorobut-1-yl)benzene(4,4,4-Trifluorobut-1-yl)benzene 97SCHEMBL1868845SCHEMBL2915950SCHEMBL3162560
Show more names
Benzene, (4,4,4-trifluorobutyl)-(4,4,4-Trifluorobut-1-yl)benzene 97%
SCHEMBL5610653SCHEMBL8082932SCHEMBL15111556UCWCZSLUBQJLEY-UHFFFAOYSA-NSBB090767
Database identifiers
- CAS
104315-86-8- PubChem CID
- 2777080
- DTXSID
DTXSID50380364- Nikkaji
- J2.106.754G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 78 · 78-79/19mm
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2902900000 · 2902900000
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
- 2902900000
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers4 total
北京奥龙飞科技有限公司—
APOLLO-NMR[email protected]
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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