UCSF

ZINC00037857

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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) 3.03 5.38 -52.35 1 3 -1 60 187.174 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 217 - 223 Acros Organics
Melting_Point 218-222? Alfa-Aesar
Melting_Point 218-222° Alfa-Aesar
MP 220 TCI
MP 220 - 223 Enamine Building Blocks
MP 220...223 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% APIChem
PUBCHEM_PATENT_ID EP0538193B1; EP0819129A1; EP0819129B1; EP0836605A1; EP0874846A1; EP0888349A1; EP0900210A1; EP0915841A1; EP0929553A1; EP0938486A1; EP0970070A1; US5395855; US5461076; US5639911; US5686457; US5849911; US5912352; US5981533; US6096749; US6110946; US6140317; US IBM Patent Data
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT 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 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
PUBCHEM_PATENT_ID US5015676; US5021473 IBM Patent Data
Hazard XI: Irritant Acros Organics

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