UCSF

ZINC01680076

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) 2.63 0.48 -28.63 2 1 1 16 142.266 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 59? Alfa-Aesar
Melting_Point 59° Alfa-Aesar
BP [°C] 152 Acros Organics
Boiling_Point 152-154? Alfa-Aesar
Boiling_Point 152-154° Alfa-Aesar
BP 152° Matrix Scientific
Purity 98% Matrix Scientific
Purity 99% Fluorochem
Hazard C: Corrosive Acros Organics
PUBCHEM_PATENT_ID EP0006536A1; EP0019578A1; EP0020293A1; EP0022080A1; EP0022997A1; EP0024338A1; EP0031304A1; EP0033663A1; EP0042359A1; EP0045721A2; EP0070358A1; EP0074598A2; EP0093693A2; EP0094350A2; EP0094605A2; EP0095076A2; EP0101411A2; EP0103540A1; EP0107805A2; EP010899 IBM Patent Data
Warnings FLAMMABLE Matrix Scientific
H phrase H318: Causes serious eye damage Acros Organics
H phrase H318: Causes serious eye damage; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H226: Flammable liquid and vapor Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H302: Harmful if swallowed; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
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
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed.; R34: Causes burns. 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 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accid 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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Analogs ( Draw Identity 99% 90% 80% 70% )