3-Fluorobenzylisothiocyanate
Modify Date: 2025-09-20 07:20:36
3-Fluorobenzylisothiocyanate structure
|
Common Name | 3-Fluorobenzylisothiocyanate | ||
|---|---|---|---|---|
| CAS Number | 63351-94-0 | Molecular Weight | 167.20300 | |
| Density | 1,22 g/cm3 | Boiling Point | 138 °C | |
| Molecular Formula | C8H6FNS | Melting Point | 138 °C | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 3-Fluorobenzyl isothiocyanate |
|---|---|
| Synonym | More Synonyms |
| Density | 1,22 g/cm3 |
|---|---|
| Boiling Point | 138 °C |
| Melting Point | 138 °C |
| Molecular Formula | C8H6FNS |
| Molecular Weight | 167.20300 |
| Exact Mass | 167.02000 |
| PSA | 44.45000 |
| LogP | 2.42850 |
| Index of Refraction | 1.545 |
| InChIKey | CCKNPKNHNFDGND-UHFFFAOYSA-N |
| SMILES | Fc1cccc(CN=C=S)c1 |
| Storage condition | Keep Cold |
| Hazard Codes | C,T,Xi |
|---|---|
| Risk Phrases | R20/21/22 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | 2810 |
| HS Code | 2930909090 |
|
~52%
3-Fluorobenzyli... CAS#:63351-94-0 |
| Literature: Kruse, Lawrence I.; Kaiser, Carl; DeWolf, Walter E.; Finkelstein, Joseph A.; Frazee, James S.; et al. Journal of Medicinal Chemistry, 1990 , vol. 33, # 2 p. 781 - 789 |
|
~52%
3-Fluorobenzyli... CAS#:63351-94-0 |
| Literature: SmithKlein Beckman Corporation Patent: US4628059 A1, 1986 ; |
|
~%
3-Fluorobenzyli... CAS#:63351-94-0 |
| Literature: Bioscience, Biotechnology, and Biochemistry, , vol. 56, # 7 p. 1062 - 1065 |
![1-[(3-fluorophenyl)methyl]-3-(3-hydroxypropyl)thiourea structure](https://image.chemsrc.com/caspic/323/61290-58-2.png)
CAS#:61290-58-2![3-[(3-fluorophenyl)methyl]-1-(2-hydroxyethyl)-1-methylthiourea structure](https://image.chemsrc.com/caspic/099/61290-73-1.png)
CAS#:61290-73-1| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
| 1-fluoro-3-(isothiocyanatomethyl)benzene |
| MFCD00060406 |