UCSF

ZINC01627094

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) 2.26 5.16 -4.93 0 1 0 17 196.074 1

Vendor Notes

Note Type Comments Provided By
BP [°C] 164 - 166 Acros Organics
Boiling_Point 164-166? Alfa-Aesar
BP 164-166° Matrix Scientific
BP 170 TCI
Mp [°C] 20 Acros Organics
MP 20° Matrix Scientific
Melting_Point 24-27? Alfa-Aesar
Melting_Point 24-27° Alfa-Aesar
MP 24-28° Oakwood Chemical
Purity 98% Fluorochem
Purity 98+% Matrix Scientific
Notes Derivatising agent for analysis of primary amines by GC:J.Chromat. 66, 255 (1972) Apollo Scientific
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation; H331: Toxic if inhaled Acros Organics
Warnings IRRITANT, KEEP COLD, STORED UNDER ARGON Matrix Scientific
Notes J.Chromat. Sci.,12, 411 (1974) Apollo Scientific
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/p Acros Organics
R phrase R23: Toxic by inhalation. Acros Organics
R phrase R23: Toxic by inhalation.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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. Acros Organics
Hazard T: Toxic Acros Organics
Warnings Toxic/Stored under Argon/Refrigerate Matrix Scientific

Activity (Go SEA)

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