Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 24 Yes

CAS Numbers: 18693 , 51-03-6

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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) 4.05 8.15 -9.43 0 5 0 46 338.444 13

Vendor Notes

Note Type Comments Provided By
Boiling_Point 155?/0.3mm Alfa-Aesar
BP [°C] 180 (p=1 torr) Acros Organics
BP 195 / 2 TCI
Solubility: Benzene, Chloroform, Ethanol, Methanol, Toronto Research Chemicals
Solubility: Chloroform Toronto Research Chemicals
Patent Database Links EP0911330; EP0989125; EP1048664; EP1243333; EP1685843; GB2005138; US2003022931; US2004063904; US2007141014; US2007207222; WO2005016904; WO2005035496; WO2005095377; WO2005108338; WO2006020664; WO2006048745; WO2006086984; WO2007086082; WO2007103687; WO20081 ChEBI
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
Therapy insecticide synergist SMDC Pharmakon
Melting Pt.: N/A Toronto Research Chemicals
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
R phrase R24: Toxic in contact with skin. Acros Organics
S phrase S28A: After contact with skin, wash immediately with plenty of water. Acros Organics
Hazard T: Toxic Acros Organics

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

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