| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | No |
Popular Name: 4-(Trifluoromethyl)phenyl isothiocyanate 4-(Trifluoromethyl)phenyl isothi…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1645-65-4 , [1645-65-4]
"4-(Trifluoromethyl)phenyl isothiocyanate, 99%"
1-isothiocyanato-4-(trifluoromethyl)benzene
4-(Trifluoromethyl)phenyl isothiocyanate, 98+%
4-(Trifluoromethyl)phenylisothiocyanate
4-Isothiocyanatobenzotrifluoride
4-Isothiocyanatobenzotrifluoride, 1-Isothiocyanato-4-(trifluoromethyl)benzene
alpha,alpha,alpha-Trifluoro-p-tolyl isothiocyanate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.20 | 2.5 | -3.11 | 0 | 1 | 0 | 12 | 203.188 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 207 | TCI |
| Boiling_Point | 207? | Alfa-Aesar |
| Boiling_Point | 207° | Alfa-Aesar |
| Melting_Point | 39-42? | Alfa-Aesar |
| Melting_Point | 39-42° | Alfa-Aesar |
| MP | 41 | TCI |
| MP | 41 - 43 | Enamine Building Blocks |
| MP | 41-43° | Matrix Scientific |
| MP | 41...43 | Enamine Building Blocks |
| MP | 42 - 43 | Enamine Building Blocks |
| MP | 43 - 43 | Enamine Building Blocks |
| MP | 43 - 45 | Enamine Building Blocks |
| BP | 81°/11mm | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Matrix Scientific |
| Warnings | Corrosive/Refrigerate/Lachrymator | Matrix Scientific |
| Warnings | LACHRYMATOR, TOXIC, CORROSIVE | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.