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) 1.20 2.7 -7.77 0 3 0 39 142.154 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 82? Alfa-Aesar
Melting_Point 82° Alfa-Aesar
Mp [°C] 90 Acros Organics
BP [°C] 189 Acros Organics
Boiling_Point 189? Alfa-Aesar
Boiling_Point 189° Alfa-Aesar
BP 85 / 15 TCI
H phrase H317: May cause an allergic skin reaction; H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H311: Toxic in contact with skin; H341: Suspected of causing genetic defects; H360F: May damage fertility; H350: May cause cancer; H370: Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsi Acros Organics
P phrase P312: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/38: Irritating to eyes and skin.; R39/26: Very toxic : danger of very serious irreversible effects through inhalation.; R43: May cause sensitisation by skin contact.; R45: May c Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard T: Toxic Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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