UCSF

ZINC00900729

Annotations

Vendors

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) 2.75 5.11 -2.11 0 0 0 0 157.01 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 31 Acros Organics
Melting_Point 31? Alfa-Aesar
Melting_Point 31° Alfa-Aesar
Boiling_Point 155-156? Alfa-Aesar
Boiling_Point 155-156° Alfa-Aesar
BP [°C] 156 Acros Organics
BP [°C] 53 (p=23 torr) Acros Organics
Boiling_Point 53?/23mm Alfa-Aesar
Boiling_Point 53°/23mm Alfa-Aesar
Purity 98% Fluorochem
Patent Database Links EP1081133; EP1428818; EP1661887; US2005070597; US2006160785; US2007203195; US2007219141; WO2005028409; WO2005030140; WO2005035517; WO2006003651; WO2006060808; WO2007099432 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H411: Toxic to aquatic life with long lasting effects; H226: Flammable liquid and vapor Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects Acros Organics
H phrase H411: Toxic to aquatic life with long lasting effects; H315: Causes skin irritation; H226: Flammable liquid and vapor Acros Organics
UniProt Database Links HMOX1_HUMAN; HMOX1_MOUSE; HMOX1_PIG; HMOX1_RAT ChEBI
P phrase P273: Avoid release to the environment Acros Organics
P phrase P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R38: Irritating to skin.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S61: Avoid release to the environment. Refer to special instructions / safety data sheets. Acros Organics
PUBCHEM_PATENT_ID US5506147 IBM Patent Data
Hazard XI: Irritant Acros Organics
Hazard XI: Irritant; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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

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