UCSF

ZINC03860696

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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) -0.15 0.41 -134.24 0 6 -2 106 166.092 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 185 - 188 Acros Organics
MP 187-189° Oakwood Chemical
MP 188 Fluorochem
MP 188 - 190 Enamine Building Blocks
MP 188...190 Enamine Building Blocks
MP 228 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Melting_Point ca 188? dec. Alfa-Aesar
Melting_Point ca 188° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0203722A1; EP0327239A1; EP0327239B1; US4902707; US4940718; US5011938; US5019571 IBM Patent Data
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; 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; 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 S22: Do not breathe dust. Acros Organics
S phrase S22: Do not breathe dust.; 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. Acros Organics
Hazard XI: Irritant Acros Organics
BP ~188° Matrix Scientific

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