UCSF

ZINC00392000

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) -0.97 -5.48 -5.43 3 3 0 61 120.148 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 137?/15mm Alfa-Aesar
Boiling_Point 137°/15mm Alfa-Aesar
Mp [°C] 200 - 203 Acros Organics
MP 201 TCI
Purity 98% Fluorochem
Melting_Point ca 190? Alfa-Aesar
Melting_Point ca 190° Alfa-Aesar
H phrase H331: Toxic if inhaled Acros Organics
H phrase H331: Toxic if inhaled; H341: Suspected of causing genetic defects; H373: May cause damage to organs through prolonged or repeated exposure; H318: Causes serious eye damage; H311: Toxic in contact with skin; H301: Toxic if swallowed Acros Organics
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 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.; R34: Causes burns.; R48/20/21/22: Harmful : danger of serious damage to health by prolonged exposure through inhalation, in contact with skin and if swallowed.; R68: Possible risks of Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective cloth Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; C: Corrosive Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.