UCSF

ZINC01577033

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) 2.46 1.39 -3.17 0 1 0 3 135.21 1

Vendor Notes

Note Type Comments Provided By
Mp [°C] 15 Acros Organics
Melting_Point 15? Alfa-Aesar
Melting_Point 15° Alfa-Aesar
BP [°C] 212 Acros Organics
Boiling_Point 212-215? Alfa-Aesar
Boiling_Point 212-215° Alfa-Aesar
BP 91 / 10 TCI
Purity 95% Fluorochem
H phrase H373: May cause damage to organs through prolonged or repeated exposure Acros Organics
H phrase H373: May cause damage to organs through prolonged or repeated exposure; H412: Harmful to aquatic life with long lasting effects; H331: Toxic if inhaled; H311: Toxic in contact with skin Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase 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: Gently wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim 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.; R33: Danger of cumulative effects.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid rele Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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