UCSF

ZINC00388185

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) -1.23 -3.95 -38.62 3 2 1 36 102.157 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 108 - 114 (p=10 torr) Acros Organics
Boiling_Point 108-114?/10mm Alfa-Aesar
Boiling_Point 108-114°/10mm Alfa-Aesar
MP 189 - 190 Enamine Building Blocks
MP 189...190 Enamine Building Blocks
Mp [°C] 85 - 90 Acros Organics
Melting_Point 86-90? Alfa-Aesar
Melting_Point 86-90° Alfa-Aesar
MP 88 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H312: Harmful in contact with skin; H332: Harmful if inhaled; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; 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 Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; 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% )