UCSF

ZINC00066007

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) 0.86 0.49 -43.8 3 3 1 40 179.243 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 218-224? Alfa-Aesar
Melting_Point 218-224° Alfa-Aesar
Mp [°C] 220 Acros Organics
MP 220 - 222 Enamine Building Blocks
MP 220...222 Enamine Building Blocks
MP 223 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage Acros Organics
H phrase H312: Harmful in contact with skin; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation Acros Organics
H phrase H318: Causes serious eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and e Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
R phrase R34: Causes burns. 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

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