UCSF

ZINC01672844

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) -1.04 3.62 -14.08 0 2 0 47 66.063 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 220 Acros Organics
Boiling_Point 220-222? Alfa-Aesar
Boiling_Point 220-222° Alfa-Aesar
Mp [°C] 30 - 34 Acros Organics
Melting_Point 30-34? Alfa-Aesar
Melting_Point 30-34° Alfa-Aesar
Purity 99% Fluorochem
Patent Database Links EP1344774; EP1367049; EP1367050; EP1555259; EP1619186; EP1666475; EP1710234; EP1772459; GB2279951; US2004143007; US2005176784; US2005250706; US2006004092; WO2005005956; WO2005068432; WO2005105804; WO2005108365; WO2006046023; WO2006122949; WO2007125310 ChEBI
H phrase H311: Toxic in contact with skin Acros Organics
H phrase H311: Toxic in contact with skin; H331: Toxic if inhaled; H410: Very toxic to aquatic life with long lasting effects Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S27: Take off immediately all contaminated clothing.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S60: This material and its container must Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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