UCSF

ZINC00088604

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) 1.24 1.47 -4.73 3 3 0 47 138.17 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 153 - 154 Acros Organics
MP 161°(dec) Matrix Scientific
Purity 95% Fluorochem
Purity 96% Fluorochem
Purity 97% Matrix Scientific
Purity 99% Matrix Scientific
Melting_Point ca 161? dec. Alfa-Aesar
Melting_Point ca 161° dec. Alfa-Aesar
PUBCHEM_PATENT_ID EP0601155A1; US5482920; WO1993025540A1 IBM Patent Data
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H317: May cause an allergic skin reaction Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT, KEEP COLD Matrix Scientific
Warnings Irritant/Store in Freezer 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P312: Call a POISON CENTER or doctor/physician if you feel Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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