UCSF

ZINC19230129

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) 1.01 3.26 -42.26 3 2 1 31 191.298 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 152 (p=9.7 torr) Acros Organics
BP 152°/10mm Oakwood Chemical
BP 152°C/10mm Fluorochem
Boiling_Point 279-281? Alfa-Aesar
Boiling_Point 279-281° Alfa-Aesar
Purity 97% Fluorochem
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H318: Causes serious eye damage; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage 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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water 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. 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% )