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ChemicalBook--->CAS DataBase List--->614-96-0

614-96-0

614-96-0 Structure

614-96-0 Structure
IdentificationMore
[Name]

5-Methylindole
[CAS]

614-96-0
[Synonyms]

5-METHYL-1H-INDOLE
5-METHYLINDOLE
AKOS JY2082955
1H-Indole,5-methyl-
5-Methylindol
Indole, 5-methyl-
5-Methylindole,99%
5-METLYLINDOLE
5-METHYLINDOLE CRYSTALLINE
5-METHYLHEX-3-EN-2-ONE
[EINECS(EC#)]

210-400-9
[Molecular Formula]

C9H9N
[MDL Number]

MFCD00005680
[Molecular Weight]

131.17
[MOL File]

614-96-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to slightly beige crystalline solid
[Melting point ]

60-62 °C (lit.)
[Boiling point ]

100°C/3mm
[density ]

1.0202
[refractive index ]

1.6070 (estimate)
[Fp ]

100°C/3mm
[storage temp. ]

Keep Cold
[solubility ]

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

Crystalline Solid
[pka]

17.17±0.30(Predicted)
[color ]

White to slightly beige
[Water Solubility ]

Insoluble in water.
[Sensitive ]

Light Sensitive
[BRN ]

2228
[LogP]

2.680
[CAS DataBase Reference]

614-96-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1H-Indole, 5-methyl-(614-96-0)
[EPA Substance Registry System]

614-96-0(EPA Substance)
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 .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN3335
[WGK Germany ]

3
[Hazard Note ]

Light Sensitive/Keep Cold
[HS Code ]

29339900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,3-DICHLORO-5,8-DIHYDROXY-1,4-NAPHTHOQUINONE-->Palladium (II) Acetate-->Bromoacetaldehyde diethyl acetal-->Tri(o-tolyl)phosphine-->N-Vinyl-2-pyrrolidone-->1H-Indole, 5-methyl-1-(methylsulfonyl)--->2-Bromo-4-methylaniline-->Benzenamine, 2-ethenyl-4-methyl--->Benzenamine, 4-methyl-2-[2-(trimethylsilyl)ethynyl]--->5-METHYL-1H-INDOLE-3-CARBOXYLIC ACID-->5-METHYLINDOLINE-->5-methyl-2-Indolinone-->2-IODO-4-METHYLANILINE
[Preparation Products]

Ethanol, 2-(4-methylphenyl)amino--->5-METHYLTRYPTAMINE HYDROCHLORIDE-->5-METHYLINDOLE-3-CARBOXYLIC ACID METHYL ESTER-->5-METHYL-DL-TRYPTOPHAN-->5-METHYL-2-PHENYLINDOLE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-methyl-1H-indole(614-96-0).msds
Hazard InformationBack Directory
[Chemical Properties]

white to slightly beige crystalline solid
[Uses]

5-Methylindole is used as reactant for preparation of pharmaceutically active 2-oxo-1-pyrrolidine analogues, potential anticancer immunomodulators, IL2-inducible T-cell kinase (ITK) inhibitors and CRTh2 antagonists.
[Uses]

5-Methylindole is used in the synthesis of novel protein kinase inhibitors.
[Synthesis Reference(s)]

Synthesis, p. 1036, 1982 DOI: 10.1055/s-1982-30054
[General Description]

The binding of 5-methylindole (inducer) to the Escherichia coli trp repressor has been studied. The mass analyzed threshold ionization spectra of jetcooled 5-methylindole (5MI) has also been studied.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Methylindole(614-96-0)MS
5-Methylindole(614-96-0)1HNMR
5-Methylindole(614-96-0)13CNMR
5-Methylindole(614-96-0)IR1
5-Methylindole(614-96-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Methylindole, 99%(614-96-0)
[Alfa Aesar]

5-Methylindole, 99%(614-96-0)
[Sigma Aldrich]

614-96-0(sigmaaldrich)
[TCI AMERICA]

5-Methylindole,>99.0%(GC)(614-96-0)
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