UCSF

ZINC01700196

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 No

Download: MOL2 SDF SMILES Flexibase

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) 2.48 1.53 -6.82 0 2 0 26 170.595 3

Vendor Notes

Note Type Comments Provided By
BP [°C] 225 - 226 Acros Organics
Boiling_Point 225-226? Alfa-Aesar
Boiling_Point 225-226° Alfa-Aesar
BP 226 TCI
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H335: May cause respiratory irritation; 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R14: Reacts violently with water.; R34: Causes burns.; R37: Irritating to respiratory system. Acros Organics
R phrase R34: Causes burns. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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