UCSF

ZINC01666750

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) 2.62 5.42 -6.56 0 1 0 13 143.189 0
Lo Low (pH 4.5-6) 2.62 5.86 -28.14 1 1 1 14 144.197 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 260-263? Alfa-Aesar
Boiling_Point 260-263° Alfa-Aesar
BP [°C] 261 - 263 Acros Organics
BP 261-263° Oakwood Chemical
BP 265 TCI
Mp [°C] 9 - 10 Acros Organics
Melting_Point 9-10? Alfa-Aesar
Melting_Point 9-10° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% Fluorochem
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H319: Causes serious eye irritation; H341: Suspected of causing genetic defects; H315: Causes skin irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + Acros Organics
UniProt Database Links Q2OA_COMTE; Q2OB_COMTE; Q2OG_COMTE ChEBI
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin.; R68: Possible risks of irreversible effects. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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