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) 3.52 8.77 -8.47 0 1 0 17 208.26 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 147-149?/0.3mm Alfa-Aesar
Boiling_Point 147-149°/0.3mm Alfa-Aesar
BP [°C] 148 (p=0.3 torr) Acros Organics
BP 148 / 0.3 TCI
Mp [°C] 32 - 34 Acros Organics
Melting_Point 32-34? Alfa-Aesar
Melting_Point 32-34° Alfa-Aesar
MP 85-91° Fluorochem
Melting_Point 88-89? Alfa-Aesar
Melting_Point 88-89° Alfa-Aesar
Purity 97% Fluorochem
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R36: Irritating to eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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