UCSF

ZINC19230120

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) -1.56 -1.99 -94.85 5 3 2 47 131.223 2
Hi High (pH 8-9.5) -1.56 -3.4 -43.35 4 3 1 43 130.215 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 19 Acros Organics
Melting_Point 19? Alfa-Aesar
Melting_Point 19° Alfa-Aesar
BP [°C] 218 - 222 Acros Organics
BP 218-222° Oakwood Chemical
BP 222 TCI
Boiling_Point 222? Alfa-Aesar
Boiling_Point 222° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H317: May cause an allergic skin reaction; H412: Harmful to aquatic life with long lasting effects; H312: Harmful in contact with skin Acros Organics
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics
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; P301 + P330 + P331: IF SWALLOWED: rinse Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns.; 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 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

Activity (Go SEA)

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