UCSF

ZINC03875480

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) 2.65 3.63 -0.75 0 1 0 17 181.833 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 146? Alfa-Aesar
Melting_Point 146° Alfa-Aesar
Mp [°C] 57 Acros Organics
BP [°C] 114 - 116 Acros Organics
Boiling_Point 114-116? Alfa-Aesar
Boiling_Point 114-116° Alfa-Aesar
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H330: Fatal if inhaled; H314: Causes severe skin burns and eye damage; EUH029: Contact with water liberates toxic gas; EUH014: Reacts violently with water Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P304 + P340: IF INHALED: Remove vic Acros Organics
R phrase R14: Reacts violently with water. Acros Organics
R phrase R14: Reacts violently with water.; R22: Harmful if swallowed.; R26: Very toxic by inhalation.; R29: Contact with water liberates toxic gas.; R35: Causes severe burns. Acros Organics
S phrase S8: Keep container dry. Acros Organics
S phrase S8: Keep container dry.; S23: Do not breathe gas/fumes/vapour/spray.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wea Acros Organics
Hazard T+: Very toxic Acros Organics

Activity (Go SEA)

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

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