UCSF

ZINC19230135

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) 0.93 2.28 -42.53 2 4 1 38 221.28 2
Hi High (pH 8-9.5) 0.93 0.92 -5.47 1 4 0 34 220.272 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 147 - 149 (p=2 torr) Acros Organics
Boiling_Point 147-149?/2mm Alfa-Aesar
Boiling_Point 147-149°/2mm Alfa-Aesar
BP 149 / 2 TCI
MP 38 TCI
Mp [°C] 38 - 42 Acros Organics
MP 38-42° Oakwood Chemical
Melting_Point 40-45? Alfa-Aesar
Melting_Point 40-45° Alfa-Aesar
Purity 97% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H332: Harmful if inhaled; H318: Causes serious eye damage; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
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; 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 Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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 accident or if you feel unwell, seek medical advice immediat Acros Organics

Activity (Go SEA)

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