UCSF

ZINC01665103

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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) 1.84 4.82 -43.54 3 1 1 28 150.245 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 50? Alfa-Aesar
Melting_Point 50° Alfa-Aesar
Boiling_Point 220-222? Alfa-Aesar
Boiling_Point 220-222° Alfa-Aesar
BP 222 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0004920A1; EP0622356B1; EP0708091A3; EP0937459A2; US4503067; US4587050 IBM Patent Data
H phrase H412: Harmful to aquatic life with long lasting effects Acros Organics
H phrase H412: Harmful to aquatic life with long lasting effects; H314: Causes severe skin burns and eye damage; H301: Toxic if swallowed; H311: Toxic in contact with skin Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R24/25: Toxic in contact with skin and if swallowed. Acros Organics
R phrase R24/25: Toxic in contact with skin and if swallowed.; R34: Causes burns.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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 accident or if you feel unwell, seek medical advice immediat Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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