UCSF

ZINC00157531

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) 1.05 1.66 -4.37 2 2 0 35 123.155 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 1? Alfa-Aesar
Melting_Point Alfa-Aesar
MP 174 TCI
Boiling_Point 250-251? Alfa-Aesar
Boiling_Point 250-251° Alfa-Aesar
BP 251 TCI
BP 251° Oakwood Chemical
BP [°C] 80 - 82 (p=0.5 torr) Acros Organics
Purity 98% Fluorochem
Purity 99% APIChem
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled; H411: Toxic to aquatic life with long lasting effects; H373: May cause damage to organs through prolonged or repeated exposure 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 R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S29: Do not empty into drains. Acros Organics
S phrase S29: Do not empty into drains.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S57: Use appropriate container to avoid environmental 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% )