UCSF

ZINC01665566

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) 1.65 3.48 -5.92 0 4 0 41 285.923 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 187 - 191 Acros Organics
MP 197 - 199 Enamine Building Blocks
MP 197-199°(dec.) Oakwood Chemical
MP 197...199 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Melting_Point ca 198? dec. Alfa-Aesar
MP ca 198° dec Matrix Scientific
Melting_Point ca 198° dec. Alfa-Aesar
H phrase H410: Very toxic to aquatic life with long lasting effects Acros Organics
H phrase H410: Very toxic to aquatic life with long lasting effects; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H272: May intensify fire; oxidizer Acros Organics
Warnings MOISTURE SENSITIVE, CORROSIVE, OXIDIZER Matrix Scientific
Hazard O: Oxidizing Acros Organics
Hazard O: Oxidizing; C: Corrosive; N: Dangerous for the environment Acros Organics
Warnings Oxidizer/Corrosive/Moisture Sensitive Matrix Scientific
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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 R8: Contact with combustible material may cause fire. Acros Organics
R phrase R8: Contact with combustible material may cause fire.; R22: Harmful if swallowed.; R34: Causes burns.; R50: Very toxic to aquatic organisms. Acros Organics
S phrase S17: Keep away from combustible material. Acros Organics
S phrase S17: Keep away from combustible material.; 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 yo Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.