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3637-01-2

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3637-01-2 Structure

Identification	More
[Name] 3',4'-Dimethylacetophenone
[CAS] 3637-01-2
[Synonyms] 1-(3,4-Dimethylphenyl)ethan-1-one 3',4'-DIMETHYLACETOPHENONE 3,4-DIMETHYLACETOPHENONE (3,4-DIMETHYLPHENYL)ETHANONE ASISCHEM D29254 1-(3,4-dimethylphenyI)ethanone 1-(3,4-dimethylphenyl)-ethanon 1-(3,4-Dimethylphenyl)ethanone 1-(3,4-Dimethyl-phenyl)-ethanone Acetophenone, 3',4'-dimethyl- Ethanone, 1-(3,4-dimethylphenyl)- 3',4'-Dimethylacetophenone 3,4-Dimethylacetophenone 3',4'-Dimethylacetophenone,98% 1-Acetyl-3,4-dimethylbenzene Methyl(3,4-xylyl) ketone
[EINECS(EC#)] 222-859-2
[Molecular Formula] C10H12O
[MDL Number] MFCD00008743
[Molecular Weight] 148.2
[MOL File] 3637-01-2.mol

Chemical Properties	Back Directory
[Appearance] clear colourless to light yellow liquid
[Melting point ] -1.5°C
[Boiling point ] 243 °C(lit.)
[density ] 1.001 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.538(lit.)
[Fp ] 217 °F
[storage temp. ] Sealed in dry,Room Temperature
[form ] liquid
[BRN ] 907053
[InChI] 1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3
[InChIKey] WPRAXAOJIODQJR-UHFFFAOYSA-N
[SMILES] CC(=O)c1ccc(C)c(C)c1
[LogP] 2.590 (est)
[CAS DataBase Reference] 3637-01-2(CAS DataBase Reference)
[NIST Chemistry Reference] 3,4-(CH3)2C6H3-COCH3(3637-01-2)
[EPA Substance Registry System] 3637-01-2(EPA Substance)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H317-H319
[Precautionary statements ] P280-P305+P351+P338
[Hazard Codes ] Xn
[Risk Statements ] R36:Irritating to the eyes. R20/22:Harmful by inhalation and if swallowed .
[Safety Statements ] S39:Wear eye/face protection . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ] 3
[TSCA ] Yes
[HazardClass ] IRRITANT
[HS Code ] 29143990
[Storage Class] 10 - Combustible liquids

Raw materials And Preparation Products	Back Directory
[Preparation Products] 3,4-Dimethylaniline-->5-Acetyl-2-fluorobenzoic acid-->3,4-Dimethylbenzoic acid-->2-(3,4-Dimethylphenyl)pyridine-->1,3-bis(3,4-dimethylphenyl)propane-1,3-dione-->2-(3,4-Dimethyl-phenyl)-quinoline-4-carboxylic acid-->2-Bromo-1-(3,4-dimethyl-phenyl)-ethanone

Hazard Information	Back Directory
[Chemical Properties] clear colourless to light yellow liquid
[Uses] 3′,4′-Dimethylacetophenone was used as starting reagent in the synthesis of 4-[5-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenecarboxyamide.
[Synthesis Reference(s)] Tetrahedron Letters, 42, p. 265, 2001 DOI: 10.1016/S0040-4039(00)01935-3

Spectrum Detail	Back Directory
[Spectrum Detail] 3',4'-Dimethylacetophenone(3637-01-2)MS 3',4'-Dimethylacetophenone(3637-01-2)¹HNMR 3',4'-Dimethylacetophenone(3637-01-2)¹³CNMR 3',4'-Dimethylacetophenone(3637-01-2)IR1 3',4'-Dimethylacetophenone(3637-01-2)Raman

Well-known Reagent Company Product Information	Back Directory
[Alfa Aesar] 3',4'-Dimethylacetophenone, 98%(3637-01-2)
[Sigma Aldrich] 3637-01-2(sigmaaldrich)

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