HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2777080Generated: October 31, 2026
4,4,4-Trifluorobutylbenzene
4,4,4-trifluorobutylbenzene · Benzene, (4,4,4-trifluorobutyl)- · (4,4,4-Trifluorobut-1-yl)benzene 97 · (4,4,4-Trifluorobut-1-yl)benzene 97%
https://huagongshe.com/en/chemical/2777080
Identifiers & Physical Properties
| CAS No. | 104315-86-8 |
|---|
| Molecular formula | C10H11F3 |
|---|
| Average molar mass | 188.19 g/mol |
|---|
| Monoisotopic mass | 188.08128484 g/mol |
|---|
| SMILES | FC(F)(F)CCCc1ccccc1 |
|---|
| InChIKey | UCWCZSLUBQJLEY-UHFFFAOYSA-N |
|---|
| PubChem CID | 2777080 |
|---|
| DTXSID | DTXSID50380364 |
|---|
Chemical & Physical Properties
| XLogP | 4.1 |
|---|
| Topological polar surface area | 0 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 13 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 134 |
|---|
| Boiling point | 78-79/19mm |
|---|
| Density | 1.096±0.06 g/cm3(Predicted) |
|---|
| Hazard symbols | Xi |
|---|
| Hazard Note | Irritant |
|---|
| Customs code | 2902900000 |
|---|
Safety & Regulations
| Customs code | 2902900000 |
|---|
| Hazard symbols | Xi |
|---|
| hazard_note | Irritant |
|---|
