UCSF

ZINC00153348

Annotations

Vendors

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) 1.06 4.86 -9.65 0 3 0 39 173.171 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 162 - 163 (p=12 torr) Acros Organics
Boiling_Point 162-163?/12mm Alfa-Aesar
Boiling_Point 162-163°/12mm Alfa-Aesar
BP 181 / 27 TCI
MP 85-87° Oakwood Chemical
Mp [°C] 86 - 90 Acros Organics
Melting_Point 87-91? Alfa-Aesar
Melting_Point 87-91° Alfa-Aesar
MP 90 TCI
Purity 95% Fluorochem
Purity 98% min APIChem
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H301: Toxic if swallowed Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling; P270: Do not eat, drink or smoke when using this product; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
R phrase R25: Toxic if swallowed.; R36/38: Irritating to eyes and skin. Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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