UCSF

ZINC04521314

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) 1.72 3.41 -3.59 0 2 0 26 142.969 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 65? Alfa-Aesar
Melting_Point 65° Alfa-Aesar
BP [°C] 118 - 119 Acros Organics
BP 118-119° Oakwood Chemical
Boiling_Point 119-121? Alfa-Aesar
Boiling_Point 119-121° Alfa-Aesar
BP 120 TCI
Purity 99% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H330: Fatal if inhaled; H226: Flammable liquid and vapor; EUH029: Contact with water liberates toxic gas Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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 r Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed.; R23: Toxic by inhalation.; R29: Contact with water liberates toxic gas.; R34: Causes burns. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accid Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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