UCSF

ZINC00158595

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) -0.01 0.05 -5.97 1 2 0 33 109.128 1
Lo Low (pH 4.5-6) -0.01 0.33 -31.93 2 2 1 34 110.136 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 107 - 110 (p=1 torr) Acros Organics
BP 140-142° Matrix Scientific
Boiling_Point 141?/12mm Alfa-Aesar
BP 141°/12mm Matrix Scientific
BP 150 / 16 TCI
Mp [°C] 52 - 53 Acros Organics
Melting_Point 53-55? Alfa-Aesar
MP 53-55° Matrix Scientific
MP 53° Oakwood Chemical
MP 55 TCI
MP 57 - 59 Enamine Building Blocks
MP 57...59 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Matrix Scientific
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT, HYGROSCOPIC, KEEP COLD Matrix Scientific
Warnings Irritant/Store in Freezer 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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