UCSF

ZINC04726938

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) 1.11 2.79 -2.03 0 1 0 9 84.118 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 70 Acros Organics
Melting_Point 70? Alfa-Aesar
Melting_Point 70° Alfa-Aesar
Boiling_Point 85-86? Alfa-Aesar
Boiling_Point 85-86° Alfa-Aesar
BP 86 TCI
BP 86° Matrix Scientific
BP [°C] 87 Acros Organics
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0035046A1; EP0035228A1; EP0123912A1; EP0155704A2; EP0185359A2; EP0185359B1; EP0253767A1; EP0285936A1; EP0379099A1; EP0379099B1; EP0633912B1; EP0655995A1; EP0655995B1; EP0929548A1; US4009129; US4372953; US4411911; US4435404; US4489091; US4540703; US46457 IBM Patent Data
PUBCHEM_PATENT_ID EP0136702A2; EP0313963A1; EP0313963B1; EP0325085A2; EP0325085B1; EP0332009A1; EP0332009B1; EP0379099A1; EP0379099B1; EP0552493A1; EP0552493B1; EP0599906A1; EP0599906B1; EP0655995A1; EP0655995B1; EP0858452A1; EP0929548A1; US3978063; US4165317; US4207234; U IBM Patent Data
PUBCHEM_PATENT_ID EP0274867A2; EP0274867B1; EP0407217A1; EP0519702A1; EP0560407A1; EP0560407B1; EP0590026A1; EP0590026B1; EP0872484A1; EP0959060A1; EP1010692A1; US3971809; US4851423; US5272167; US5350772; US5374416; US5449782; US5459144; US5559133; US5618849; US5750532; US IBM Patent Data
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XN: Harmful Acros Organics
Warnings Flammable Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H332: Harmful if inhaled; H225: Highly flammable liquid and vapor; EUH019: May form explosive peroxides Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R19: May form explosive peroxides.; R20: Harmful by inhalation.; R36/38: Irritating to eyes and skin. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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 WO2000058288A1 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.