UCSF

ZINC00158591

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) 1.68 3.34 -3.38 0 1 0 13 157.998 0
Lo Low (pH 4.5-6) 1.68 3.62 -32.61 1 1 1 14 159.006 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 27? Alfa-Aesar
Melting_Point 27° Alfa-Aesar
BP 172-174 Fluorochem
Boiling_Point 172-174? Alfa-Aesar
Boiling_Point 172-174° Alfa-Aesar
BP [°C] 173 Acros Organics
BP 178 TCI
Purity 98% Fluorochem
Purity 99% Fluorochem
Warnings Flammable/Light Sensitive Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H301: Toxic if swallowed; H311: Toxic in contact with skin; H319: Causes serious eye irritation; H331: Toxic if inhaled; H226: Flammable liquid and vapor Acros Organics
Warnings LIGHT SENSITIVE, IRRITANT-HARMFUL, FLAMMABLE Matrix Scientific
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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: G Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accid Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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

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