UCSF

ZINC00389862

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 4-Acetoxystyrene 4-Acetoxystyrene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2628-16-2 , [2628-16-2]

Download: MOL2 SDF SMILES Flexibase

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) 2.34 3.54 -7.33 0 2 0 26 162.188 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 259-260? Alfa-Aesar
Boiling_Point 259-260° Alfa-Aesar
BP [°C] 260 Acros Organics
Mp [°C] 7 - 8 Acros Organics
Melting_Point 7-8? Alfa-Aesar
Melting_Point 7-8° Alfa-Aesar
Purity 97% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H302: Harmful if swallowed; H317: May cause an allergic skin reaction; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H318: Causes serious eye damage Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for breathing; P342 + P311: If experiencing respiratory symptoms: Call a POISON CENTE Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R38: Irritating to skin.; R41: Risk of serious damage to eyes.; R42/43: May cause sensitisation by inhalation and skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
Hazard XN: Harmful Acros Organics

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