UCSF

ZINC00164438

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) 1.96 3.21 -3.57 2 1 0 26 125.146 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 35-38? Alfa-Aesar
Melting_Point 35-38° Alfa-Aesar
Mp [°C] 38 - 40 Acros Organics
MP 38-40° Matrix Scientific
BP 83 / 14 TCI
BP [°C] 98 - 100 (p=15 torr) Acros Organics
Boiling_Point 98-100?/15mm Alfa-Aesar
Boiling_Point 98-100°/15mm Alfa-Aesar
Purity 99% Matrix Scientific
H phrase H311: Toxic in contact with skin Acros Organics
H phrase H311: Toxic in contact with skin; H319: Causes serious eye irritation; H330: Fatal if inhaled; H301: Toxic if swallowed; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
Warnings IRRITANT, TOXIC 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 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.; 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.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics
Hazard T: Toxic Acros Organics
Warnings Toxic/Irritant/Store in Freezer Matrix Scientific

Activity (Go SEA)

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