UCSF

ZINC01693374

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) 2.38 4.69 -34.69 2 1 1 17 128.239 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 163-166? Alfa-Aesar
Boiling_Point 163-166° Alfa-Aesar
BP [°C] 164 Acros Organics
BP 165° Oakwood Chemical
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Hazard C: Corrosive Acros Organics
PUBCHEM_PATENT_ID EP0766685A1; WO1995034568A1 IBM Patent Data
H phrase H226: Flammable liquid and vapor Acros Organics
H phrase H226: Flammable liquid and vapor; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
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 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P30 Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R35: Causes severe burns. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accid Acros Organics

Activity (Go SEA)

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