UCSF

ZINC04722803

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) -0.35 -1.19 -9.27 2 2 0 43 93.513 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 116 - 120 Acros Organics
Melting_Point 116-119? Alfa-Aesar
Melting_Point 116-119° Alfa-Aesar
MP 118-120° Oakwood Chemical
MP 120 TCI
Boiling_Point 220? dec. Alfa-Aesar
Boiling_Point 220° dec. Alfa-Aesar
BP [°C] 224.5 Acros Organics
BP 225 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H317: May cause an allergic skin reaction; H361f: Suspected of damaging fertility Acros Organics
Warnings IRRITANT Matrix Scientific
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 eye protection/face protection; P281: Use personal protective equipment as required Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
R phrase R25: Toxic if swallowed.; R43: May cause sensitisation by skin contact.; R62: Possible risk of impaired fertility. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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). Acros Organics
Hazard T: Toxic Acros Organics
Warnings Toxic Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.