UCSF

ZINC00152861

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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) 2.36 1.44 -7.22 0 1 0 17 217.037 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 150 (p=12 torr) Acros Organics
Boiling_Point 150?/12mm Alfa-Aesar
Boiling_Point 150°/12mm Alfa-Aesar
BP 150°C/12mm Fluorochem
BP 153 / 12 TCI
Melting_Point 45-49? Alfa-Aesar
Melting_Point 45-49° Alfa-Aesar
Mp [°C] 46 - 49 Acros Organics
MP 48 - 50 Enamine Building Blocks
MP 48-50° Matrix Scientific
MP 48...50 Enamine Building Blocks
MP 49 TCI
MP 49° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Store in Freezer/Lachrymator Matrix Scientific
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage Acros Organics
Notes Intermediate for preparation of 1,2-diarylcyclopentenolcyclooxygenase inhibitors: J.Med.Chem.,37,3878,1994. Apollo Scientific
Warnings IRRITANT, LACHRYMATOR Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R34: Causes burns. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics

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