UCSF

ZINC01729184

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) 0.23 0.63 -4.13 0 3 0 28 106.121 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 53 Acros Organics
Melting_Point 53? Alfa-Aesar
Melting_Point 53° Alfa-Aesar
BP 100 TCI
BP [°C] 101 - 102 Acros Organics
Boiling_Point 101-102? Alfa-Aesar
Boiling_Point 101-102° Alfa-Aesar
Purity 98% Fluorochem
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XI: Irritant Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H225: Highly flammable liquid and vapor Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection 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; P210: Keep away from heat Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R36: Irritating to eyes. Acros Organics
S phrase S9: Keep container in a well-ventilated place. Acros Organics
S phrase S9: Keep container in a well-ventilated place.; S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S29: Do not empty into drains. Acros Organics

Activity (Go SEA)

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