UCSF

ZINC01462351

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) 1.83 3.15 -6.4 0 2 0 22 150.177 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 244-246? Alfa-Aesar
Boiling_Point 244-246° Alfa-Aesar
BP [°C] 245 Acros Organics
Mp [°C] 3.5 Acros Organics
Melting_Point 3.5? Alfa-Aesar
Melting_Point 3.5° Alfa-Aesar
Purity 98% APIChem
H phrase H350: May cause cancer Acros Organics
H phrase H350: May cause cancer; H341: Suspected of causing genetic defects; H332: Harmful if inhaled; H335: May cause respiratory irritation; H315: Causes skin irritation; H317: May cause an allergic skin reaction; H412: Harmful to aquatic life with long lasting Acros Organics
Warnings IRRITANT Matrix Scientific
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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P30 Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R20: Harmful by inhalation.; R37/38: Irritating to respiratory system and skin.; R43: May cause sensitisation by skin contact.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instructions / safety Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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