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) 2.51 6.31 -3.05 0 0 0 0 181.032 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 64 - 65 Acros Organics
Melting_Point 64-67? Alfa-Aesar
MP 64-67° Oakwood Chemical
BP [°C] 71 - 72 (p=3 torr) Acros Organics
Boiling_Point 88-90?/16mm Alfa-Aesar
Boiling_Point 88-90°/16mm Alfa-Aesar
BP 92 / 12 TCI
Purity 95+% Matrix Scientific
Purity 96% Fluorochem
Purity 98% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H319: Causes serious eye irritation; H411: Toxic to aquatic life with long lasting effects 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

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.