UCSF

ZINC00159744

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 4'-Ethoxyacetophenone 4'-Ethoxyacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-06-1 , 1676-39-7 , 1676-63-7 , [1676-63-7]

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) 2.27 1.7 -7.65 0 2 0 26 164.204 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 145-146?/13mm Alfa-Aesar
Boiling_Point 145-146°/13mm Alfa-Aesar
BP [°C] 268 - 269 (p=758 torr) Acros Organics
BP 269 TCI
MP 33.5-36.5° Fluorochem
Mp [°C] 35 - 38 Acros Organics
Melting_Point 35-38? Alfa-Aesar
Melting_Point 35-38° Alfa-Aesar
MP 36 TCI
MP 37 - 39 Enamine Building Blocks
MP 37-39° Matrix Scientific
MP 37...39 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. 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.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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