UCSF

ZINC02041057

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) 1.62 4.86 -6.38 0 3 0 36 160.213 7

Vendor Notes

Note Type Comments Provided By
Mp [°C] 64 Acros Organics
Melting_Point 64? Alfa-Aesar
Melting_Point 64° Alfa-Aesar
Boiling_Point 191-192? Alfa-Aesar
Boiling_Point 191-192° Alfa-Aesar
BP 192 TCI
BP [°C] 193.5 Acros Organics
Purity 98% Fluorochem
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H312: Harmful in contact with skin 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
R phrase R20/21: Harmful by inhalation and in contact with skin. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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