UCSF

ZINC00404334

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) 1.72 3.17 -5.04 0 1 0 13 113.547 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 46 Acros Organics
Melting_Point 46? Alfa-Aesar
Melting_Point 46° Alfa-Aesar
Boiling_Point 167-170? Alfa-Aesar
Boiling_Point 167-170° Alfa-Aesar
BP [°C] 168 - 170 Acros Organics
BP 170 TCI
Purity 99% Fluorochem
Patent Database Links EP0789020; EP1184375; WO2006031674; WO2008119015 ChEBI
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H335: May cause respiratory irritation; H311: Toxic in contact with skin; H315: Causes skin irritation; H331: Toxic if inhaled; H319: Causes serious eye irritation 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.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: Acros Organics
Hazard T: Toxic Acros Organics
PUBCHEM_PATENT_ID WO1999055739A1 IBM Patent Data

Activity (Go SEA)

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

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