UCSF

ZINC00391176

Annotations

Vendors

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) 1.98 4.17 -6.64 0 2 0 22 159.188 1
Lo Low (pH 4.5-6) 1.98 4.45 -31.88 1 2 1 23 160.196 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 141-145?/15mm Alfa-Aesar
Boiling_Point 141-145°/15mm Alfa-Aesar
Melting_Point 17-20? Alfa-Aesar
Melting_Point 17-20° Alfa-Aesar
Mp [°C] 18 - 20 Acros Organics
M.P 18-20 °C Indofine
BP [°C] 193 (p=50 torr) Acros Organics
BP 284 TCI
Purity 95% Fluorochem
Purity 98% APIChem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P270: Do not eat, drink or smoke when using this product; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water f 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.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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