UCSF

ZINC00154653

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) 2.02 2.68 -5 4 2 0 52 158.204 0

Vendor Notes

Note Type Comments Provided By
mp 158 MolMall (formerly Molecular Diversity Preservation International)
MP 187 TCI
Mp [°C] 187 - 190 Acros Organics
Melting_Point 189-192? Alfa-Aesar
Melting_Point 189-192° Alfa-Aesar
Boiling_Point 200-210?/5mm Alfa-Aesar
Boiling_Point 200-210°/5mm Alfa-Aesar
Purity 95% Fluorochem
H phrase H410: Very toxic to aquatic life with long lasting effects Acros Organics
H phrase H410: Very toxic to aquatic life with long lasting effects; H351: Suspected of causing cancer Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P273: Avoid release to the environment; P301+ P312: IF SWALLOWED: Call a POISON CENTER or do Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect. Acros Organics
R phrase R40: Limited evidence of a carcinogenic effect.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves.; S60: This material and its container must be disposed of as hazardous waste.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
Hazard XN: Harmful Acros Organics
Hazard XN: Harmful; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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