ChemicalBook--->CAS DataBase List--->51863-60-6

51863-60-6

51863-60-6 Structure

51863-60-6 Structure
IdentificationMore
[Name]

3,5-Dihydroxyacetophenone
[CAS]

51863-60-6
[Synonyms]

1-(3,5-dihydroxyphenyl)-ethanone
3',5'-DIHYDROXYACETOPHENONE
3,5-DIHYDROXYACETOPHENONE
3,5-DIHYDROXYACETOPHENONE MONOHYDRATE
5-ACETYLRESORCINOL
ETHANONE, 1-(3,5-DIHYDROXYPHENYL)-
1-(3,5-dihydroxyphenyl)ethan-1-one
3,5-DIHYDROXYACETOPHENON
3',5'-Dihydroxyacetophenone 3,5-Dihydroxyacetophenone
3,5-dihydroxylacetophenone
3,5-didroxyphenyl,Cthanone
[EINECS(EC#)]

257-480-1
[Molecular Formula]

C8H10O4
[MDL Number]

MFCD06656033
[Molecular Weight]

170.16
[MOL File]

51863-60-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

145-146 °C(lit.)
[Boiling point ]

234.6°C (rough estimate)
[density ]

1.2143 (rough estimate)
[refractive index ]

1.4447 (estimate)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Powder
[pka]

8.63±0.10(Predicted)
[color ]

Off-white to brown
[BRN ]

1936502
[InChI]

InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
[InChIKey]

WQXWIKCZNIGMAP-UHFFFAOYSA-N
[SMILES]

C(=O)(C1=CC(O)=CC(O)=C1)C
[LogP]

1.019 (est)
[CAS DataBase Reference]

51863-60-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29145090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanone, 1-[3,5-bis(phenylmethoxy)phenyl]-2-(methylsulfonyl)--->3,5-Dibenzyloxyacetophenone-->1-(3-(benzyloxy)-5-hydroxyphenyl)ethanone-->3,5-Diacetoxyacetophenone-->3,5-Bis(benzyloxy)benzoic acid benzyl ester-->3',5'-Dimethoxyacetophenone
[Preparation Products]

TERBUTALINE SULFATE-->5-(1-Hydroxy-2-tert-butylamino-ethyl)benzene-1,3-diol-->5-(bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)-->(R)-1-(3,5-diMethoxyphenyl)ethanaMine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-(3,5-Dihydroxyphenyl)-ethanone(51863-60-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

3',5'-Dihydroxyacetophenone is a dihydroxy derivative of acetophenone. 3',5'-Dihydroxyacetophenone shows inhibitory activity towards plant germination and growth as well as some antitumor activity.
[Definition]

ChEBI: 3',5'-Dihydroxyacetophenone is an aromatic ketone.
[Preparation]

Preparation from 3,5-dimethoxyacetophenone (SM) by demethylation with aluminium chloride in refluxing chlorobenzene (71%) The starting material (SM) was prepared by a three-step procedure from 3,5-dimethoxy-benzoic acid.
[IC 50]

Human Endogenous Metabolite
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dihydroxyacetophenone(51863-60-6)MS
3,5-Dihydroxyacetophenone(51863-60-6)1HNMR
3,5-Dihydroxyacetophenone(51863-60-6)13CNMR
3,5-Dihydroxyacetophenone(51863-60-6)IR1
3,5-Dihydroxyacetophenone(51863-60-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3',5'-Dihydroxyacetophenone, 97%(51863-60-6)
[Alfa Aesar]

3',5'-Dihydroxyacetophenone, 96%(51863-60-6)
[Sigma Aldrich]

51863-60-6(sigmaaldrich)
[TCI AMERICA]

3',5'-Dihydroxyacetophenone,>98.0%(GC)(51863-60-6)
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