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615-13-4

615-13-4 Structure

615-13-4 Structure
IdentificationMore
[Name]

2-Indanone
[CAS]

615-13-4
[Synonyms]

2-INDANONE
2-OXOINDANE
BETA-HYDRINDONE
Indan-2-one
INDANONE(2-)
1,3-dihydro-2h-inden-2-on
1,3-Dihydro-2H-inden-2-one
2H-Inden-2-one,1,3-dihydro-
2-Hydrindone
2-Oxohydrindene
2-lndanone
2-Indanone,98%
Indan-2-one 98%
1H-inden-2(3H)-one
2-INDANONE pure
[EINECS(EC#)]

210-410-3
[Molecular Formula]

C9H8O
[MDL Number]

MFCD00003792
[Molecular Weight]

132.16
[MOL File]

615-13-4.mol
Chemical PropertiesBack Directory
[Appearance]

Wet crystalline aggregates
[Melting point ]

51-54 °C (lit.)
[Boiling point ]

218°C
[density ]

1.0712
[refractive index ]

1.5380 (estimate)
[Fp ]

212 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Crystals or Powder
[color ]

Light yellow to yellow-brown
[Odor Threshold]

0.00036ppm
[Water Solubility ]

insoluble
[Sensitive ]

Hygroscopic
[BRN ]

636550
[InChIKey]

UMJJFEIKYGFCAT-UHFFFAOYSA-N
[LogP]

1.230 (est)
[CAS DataBase Reference]

615-13-4(CAS DataBase Reference)
[NIST Chemistry Reference]

2H-inden-2-one, 1,3-dihydro-(615-13-4)
[EPA Substance Registry System]

615-13-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

NK7535500
[F ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29143900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Acetic anhydride-->1,2-DIHYDROXYINDANE-->Hydrogen peroxide-->dilute sulphuric acid-->Indene-->Sodium bicarbonate
[Preparation Products]

DELAPRIL-->3-ISOCHROMANONE-->Indan-2-amine-->Spiro[1,3-dioxolane-2,2'-[2H]indene], 1',3'-dihydro--->2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile-->2-Methyl-5-nitro-2,3-dihydro-1H-inden-2-ol-->ethyl 2-(1H-inden-2-yl)acetate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Indanone(615-13-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Wet crystalline aggregates or needle-like crystals (formed by ethanol or ether) evaporate when in contact with water vapor. These crystals have a melting point range of 58-61 ℃ and a flash point of 100 ℃. Indene compounds are commonly found in numerous natural products, exhibiting diverse physiological activities and serving as crucial intermediates in organic synthesis processes.
[Uses]

2-Indanone(615-13-4) undergoes TiCl4-Mg mediated coupling with CHBr3 to yield dibromomethyl carbinol. It reacts with 5,5-dimethyl-3-pyrazolidinone to yield 5,5-dimethyl-2-(1H-indenyl-2)-3-pyrazolidinone. On photolysis by 266-nm one-photon excitation yields o-xylylene. It was used as starting reagent in the synthesis of indene-fused porphyrins.
[Definition]

ChEBI: 2-Indanone is an indanone with an oxo substituent at position 2. It is a metabolite of indane. It has a role as a xenobiotic metabolite. 2-Indanone is an intermediate for the preparation of aprindine hydrochloride and ceforanide. It is an important intermediate in organic synthesis.
[Preparation]

2-Indanone is prepared by using acetic acid as solvent, acetic anhydride as catalyst and through hydrogen peroxide oxidation into 1, 2-indenediol, which reacted with dilute sulfuric acid solution in order to obtain crude 2-indanone. Finally, vacuum sublimation to obtain 2-indanone with high-purity, the total yield is 89%.
[Synthesis Reference(s)]

Chemistry Letters, 11, p. 325, 1982
Organic Syntheses, Coll. Vol. 5, p. 647, 1973
Tetrahedron Letters, 15, p. 3789, 1974 DOI: 10.1016/S0040-4039(01)92010-6
[General Description]

2-Indanone undergoes TiCl4-Mg mediated coupling with CHBr3 to yield dibromomethyl carbinol. It reacts with 5,5-dimethyl-3-pyrazolidinone to yield 5,5-dimethyl-2-(1H-indenyl-2)-3-pyrazolidinone. 2-Indanone on photolysis by 266-nm one-photon excitation yields o-xylylene.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Indanone(615-13-4)MS
2-Indanone(615-13-4)1HNMR
2-Indanone(615-13-4)IR1
2-Indanone(615-13-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Indanone, 97%(615-13-4)
[Alfa Aesar]

2-Indanone, 98%(615-13-4)
[Sigma Aldrich]

615-13-4(sigmaaldrich)
[TCI AMERICA]

2-Indanone,>98.0%(GC)(615-13-4)
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