UCSF

ZINC01704130

Physical Representations

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) 2.46 1.24 -6.84 1 1 0 20 208.26 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 179-180?/18mm Alfa-Aesar
Boiling_Point 179-180°/18mm Alfa-Aesar
BP [°C] 183 (p=20 torr) Acros Organics
mp 193 - 194 MolMall (formerly Molecular Diversity Preservation International)
BP 200 / 60 TCI
Melting_Point 44-48? Alfa-Aesar
Melting_Point 44-48° Alfa-Aesar
Mp [°C] 46 - 50 Acros Organics
MP 48 TCI
Purity 98% Fluorochem
H phrase H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )