UCSF

ZINC00392016

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) -0.33 -1.63 -35.28 4 2 1 48 104.173 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 189 - 190 Acros Organics
Boiling_Point 189-190? Alfa-Aesar
Boiling_Point 189-190° Alfa-Aesar
Boiling_Point 198-200?/690mm Alfa-Aesar
Boiling_Point 198-200°/690mm Alfa-Aesar
Melting_Point 30-34? Alfa-Aesar
Melting_Point 30-34° Alfa-Aesar
Melting_Point 30-35? Alfa-Aesar
Melting_Point 30-35° Alfa-Aesar
Mp [°C] 32 - 36 Acros Organics
MP 35-36 °C(lit.) Indofine
BP [°C] 75 - 77 (p=8 torr) Acros Organics
Boiling_Point 80-81?/8mm Alfa-Aesar
Boiling_Point 80-81°/8mm Alfa-Aesar
BP 87 / 11 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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