UCSF

ZINC19230202

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) 0.79 7.1 -195.85 3 3 3 32 158.269 5
Hi High (pH 8-9.5) 0.79 6.5 -86.51 2 3 2 31 157.261 5

Vendor Notes

Note Type Comments Provided By
Mp [°C] 111 - 116 Acros Organics
MP 111° Fluorochem
Purity 99% Fluorochem
Melting_Point ca 113? Alfa-Aesar
Melting_Point ca 113° Alfa-Aesar
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin irritation 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; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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