UCSF

ZINC12358772

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) 2.61 -1.11 -2.94 2 1 0 26 186.052 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 188-192? Alfa-Aesar
Melting_Point 188-192° Alfa-Aesar
BP [°C] 240 Acros Organics
Boiling_Point 240? Alfa-Aesar
BP 240° Matrix Scientific
Mp [°C] 53 - 58 Acros Organics
MP 53-56° Matrix Scientific
MP 55-58° Fluorochem
Melting_Point 56-60? Alfa-Aesar
Melting_Point 56-60° Alfa-Aesar
MP 57 - 59 Enamine Building Blocks
MP 57...59 Enamine Building Blocks
MP 60 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Purity 99% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H373: May cause damage to organs through prolonged or repeated exposure; H319: Causes serious eye 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; P260: Do not breathe 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
R phrase R33: Danger of cumulative effects. Acros Organics
R phrase R33: Danger of cumulative effects.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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