UCSF

ZINC19015386

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) 0.25 -1.27 -5.49 3 3 0 59 110.116 0
Hi High (pH 8-9.5) -0.87 0.8 -5.19 2 3 0 55 110.116 0
Mid Mid (pH 6-8) 0.25 -0.03 -23.76 3 3 0 63 110.116 0
Lo Low (pH 4.5-6) 0.25 -0.79 -30.02 4 3 1 60 111.124 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 166-174? Alfa-Aesar
Melting_Point 166-174° Alfa-Aesar
Mp [°C] 170 - 176 Acros Organics
MP 172 - 174 Enamine Building Blocks
MP 172-174° Matrix Scientific
MP 172...174 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Purity 99% APIChem
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation 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; 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 protec Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
R phrase R25: Toxic 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.; S37/39: Wear suitable gloves and eye/face protection.; S45: In case of accident or i Acros Organics
Hazard T: Toxic Acros Organics

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