UCSF

ZINC01696593

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) 4.59 12.6 -13.07 0 4 0 53 312.365 9

Vendor Notes

Note Type Comments Provided By
Mp [°C] 35 Acros Organics
BP 250 / 22.5 TCI
BP [°C] 370 Acros Organics
Boiling_Point 370? Alfa-Aesar
Boiling_Point 370° Alfa-Aesar
Purity 95% Fluorochem
H phrase H360Df: May damage the unborn child. Suspected of damaging fertility Acros Organics
H phrase H360Df: May damage the unborn child. Suspected of damaging fertility; H410: Very toxic to aquatic life with long lasting effects Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P273: Avoid release to the envi Acros Organics
Therapy plasticiser, suspect endocrine disruptor SMDC MicroSource
R phrase R61: May cause harm to the unborn child. Acros Organics
R phrase R61: May cause harm to the unborn child.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R62: Possible risk of impaired fertility. 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

Activity (Go SEA)

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