UCSF

ZINC19230118

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) 0.19 -0.13 -2.46 0 2 0 12 101.149 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 65 Acros Organics
Melting_Point 65? Alfa-Aesar
Melting_Point 65° Alfa-Aesar
BP [°C] 115 - 116 (p=750 torr) Acros Organics
BP 116 TCI
Boiling_Point 116-118? Alfa-Aesar
Boiling_Point 116-118° Alfa-Aesar
Purity 95% Fluorochem
Purity 99% Fluorochem
PUBCHEM_PATENT_ID EP0775127A1; EP0944609A1; EP0948455A1; EP0951438A1; EP0968130A1; EP1036070A1; US5739327; US5741437; US5792218; US5814242; US5888419; US5958289; US5959104; WO1996040661A1; WO1998023531A1; WO1998023532A1; WO1998023534A1; WO1998023601A1; WO1998023602A1 IBM Patent Data
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H225: Highly flammable liquid and vapor Acros Organics
P phrase P240: Ground/Bond container and receiving equipment; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously w Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R22: Harmful if swallowed.; R34: Causes burns. 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

Activity (Go SEA)

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