UCSF

ZINC00404333

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) 3.02 1.56 -5.79 0 1 0 17 168.623 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 123-124?/13mm Alfa-Aesar
Boiling_Point 123-124°/13mm Alfa-Aesar
Boiling_Point 125-126?/13mm Alfa-Aesar
Boiling_Point 125-126°/13mm Alfa-Aesar
BP 134-137° Matrix Scientific
BP 152 / 30 TCI
Melting_Point 33-36? Alfa-Aesar
Melting_Point 33-36° Alfa-Aesar
Mp [°C] 34 - 37 Acros Organics
MP 35 TCI
MP 35 - 37 Enamine Building Blocks
MP 35...37 Enamine Building Blocks
MP 37° Matrix Scientific
Melting_Point 45-47? Alfa-Aesar
Melting_Point 45-47° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP [°C] 95 - 97 (p=1 torr) Acros Organics
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase 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 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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