UCSF

ZINC00157577

Annotations

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) 2.48 3.66 -2.98 2 1 0 26 141.601 0

Vendor Notes

Note Type Comments Provided By
MP 24-27° Fluorochem
BP [°C] 241 Acros Organics
BP 241° Fluorochem
Mp [°C] 29 - 30 Acros Organics
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
H phrase H331: Toxic if inhaled Acros Organics
H phrase H331: Toxic if inhaled; H311: Toxic in contact with skin; H410: Very toxic to aquatic life with long lasting effects; H350: May cause cancer; H301: Toxic if swallowed; H341: Suspected of causing genetic defects Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R68: Possible risks of irreversible effects. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S60: This material and its container must be disposed of as hazardous waste. Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics
Warnings TOXIC Matrix Scientific
Warnings Toxic/Light Sensitive/Refrigerate Matrix Scientific

Activity (Go SEA)

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