UCSF

ZINC00409341

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) 2.38 0.37 -4.55 2 3 0 52 185.61 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 168 - 170 (p=22 torr) Acros Organics
Boiling_Point 168-170?/1mm Alfa-Aesar
Boiling_Point 168-170°/1mm Alfa-Aesar
BP 168-170°/22mm Oakwood Chemical
BP 170 / 22 TCI
Mp [°C] 66 - 68 Acros Organics
M.P 66-68 °C Indofine
MP 66-68° Oakwood Chemical
Melting_Point 67-70? Alfa-Aesar
Melting_Point 67-70° Alfa-Aesar
MP 70 TCI
MP 70 - 72 Enamine Building Blocks
MP 70...72 Enamine Building Blocks
melting_point 74 - 76 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H315: Causes skin irritation; H332: Harmful if inhaled; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
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; 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
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.; R36/37/38: Irritating to eyes, respiratory system and skin. 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. Acros Organics
Hazard XN: Harmful Acros Organics

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