1774-12-5

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1774-12-5 Structure

Identification	Back Directory
[Name] 5-(4-METHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE
[CAS] 1774-12-5
[Synonyms] ASISCHEM C66302 RARECHEM AR PA 0046 4-(3,5-Dioxocyclohexyl)anisole 5-(p-Methoxyphenyl)-1,3-cyclohexanedione 1,3-Cyclohexanedione, 5-(4-Methoxyphenyl)- 5-(4-methoxyphenyl)cyclohexane-1,3-quinone 5-(4-METHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE 5-[4-(METHOXY)PHENYL]-1,3-CYCLOHEXANEDIONE 5-(4-METHOXYPHENYL)-CYCLOHEXANE-1,3-DIONE 97% 5-[4-(Methoxyphenyl)]-1,3-cyclohexanedione 96%
[Molecular Formula] C13H14O3
[MDL Number] MFCD00104791
[MOL File] 1774-12-5.mol
[Molecular Weight] 218.25

Chemical Properties	Back Directory
[Melting point ] 179.5-183.5 °C(lit.)
[Boiling point ] 394.4±42.0 °C(Predicted)
[density ] 1.163±0.06 g/cm3(Predicted)
[storage temp. ] Storage temp. 2-8°C
[pka] 4.95±0.20(Predicted)
[Appearance] White to light yellow Solid
[InChI] 1S/C13H14O3/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,10H,6-8H2,1H3
[InChIKey] AHYCBDWPHFFKFK-UHFFFAOYSA-N
[SMILES] COc1ccc(cc1)C2CC(=O)CC(=O)C2

Safety Data	Back Directory
[Symbol(GHS) ] GHS07,GHS02
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H226
[Precautionary statements ] P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235
[WGK Germany ] 3
[HazardClass ] IRRITANT
[HS Code ] 2914500090
[Storage Class] 11 - Combustible Solids

Spectrum Detail	Back Directory
[Spectrum Detail] 5-(4-METHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE(1774-12-5)¹HNMR 5-(4-METHOXY-PHENYL)-CYCLOHEXANE-1,3-DIONE(1774-12-5)IR

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