UCSF

ZINC03861504

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) 1.15 3.52 -31.23 1 2 1 17 149.217 1

Vendor Notes

Note Type Comments Provided By
BP 170 / 12 TCI
BP [°C] 171 - 173 (p=20.25 torr) Acros Organics
Boiling_Point 171-173?/21mm Alfa-Aesar
Boiling_Point 171-173°/21mm Alfa-Aesar
Mp [°C] 54 - 58 Acros Organics
Melting_Point 54-58? Alfa-Aesar
Melting_Point 54-58° Alfa-Aesar
MP 58 TCI
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R34: Causes burns.; R41: Risk of serious damage to eyes. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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