UCSF

ZINC02140848

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) 1.92 4.43 -1.08 0 0 0 0 135.004 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 101 - 108 Acros Organics
BP 105-107° Matrix Scientific
Boiling_Point 111-112? Alfa-Aesar
Boiling_Point 111-112° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% Fluorochem
purity 95 Enamine Building Blocks
Purity 96% Matrix Scientific
Warnings Flammable/Irritant/Refrigerate Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H226: Flammable liquid and vapor Acros Organics
Warnings IRRITANT, KEEP COLD, FLAMMABLE 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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 XN: Harmful Acros Organics

Activity (Go SEA)

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