UCSF

ZINC00155146

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) 2.47 -0.26 -8.57 2 2 0 43 197.237 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 120 - 124 Acros Organics
M.P 121-124 °C Indofine
Melting_Point 121-124? Alfa-Aesar
Melting_Point 121-124° Alfa-Aesar
MP 123 TCI
MP 123° Matrix Scientific
Boiling_Point 245-247?/22mm Alfa-Aesar
Boiling_Point 245-247°/22mm Alfa-Aesar
BP [°C] 246 (p=12.75 torr) Acros Organics
Purity 95% Fluorochem
Purity 98% Matrix Scientific
PUBCHEM_PATENT_ID EP0553612A2; EP0553612B1 IBM Patent Data
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed; 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 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

Activity (Go SEA)

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