UCSF

ZINC01482015

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) -2.57 -1.21 -17.93 3 4 0 79 99.093 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 105-110? Alfa-Aesar
Melting_Point 105-110° Alfa-Aesar
Mp [°C] 106 - 110 Acros Organics
MP 107 TCI
Purity 98% Fluorochem
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water Acros Organics
P phrase P302 + P352: IF ON SKIN: Wash with plenty of soap and water; 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 Acros Organics
R phrase R20/21: Harmful by inhalation and in contact with skin. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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