ChemicalBook--->CAS DataBase List--->21535-97-7

21535-97-7

21535-97-7 Structure

21535-97-7 Structure
IdentificationMore
[Name]

3-Methylbenzofuran
[CAS]

21535-97-7
[Synonyms]

3-METHYLBENZO[B]FURAN
3-METHYLBENZOFURAN
RARECHEM AM LA 0012
3-Methylbenzofurane
3-METHYL-1-BENZOFURAN
3-Methylbenzofuran, GC 98%
[EINECS(EC#)]

244-427-2
[Molecular Formula]

C9H8O
[MDL Number]

MFCD00205641
[Molecular Weight]

132.16
[MOL File]

21535-97-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Boiling point ]

195-197 °C/760 mmHg
[density ]

1.046 g/mL at 25 °C
[refractive index ]

1.5535-1.5555
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Clear colorless to light yellow
[InChI]

1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3
[InChIKey]

ZRXHLJNBNWVNIM-UHFFFAOYSA-N
[SMILES]

Cc1coc2ccccc12
[CAS DataBase Reference]

21535-97-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzofuran, 3-methyl-(21535-97-7)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

1993
[WGK Germany ]

3
[Hazard Note ]

Toxic
[HS Code ]

29329990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Methylbenzofuran(21535-97-7).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

3-Methylbenzofuran is used in enantioselective preparation of Benzoheterocycles via Iridium-catalyzed Hydrogenation of Indole and Benzofuran derivatives.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 60, p. 5588, 1995 DOI: 10.1021/jo00122a046
Tetrahedron Letters, 27, p. 2303, 1986 DOI: 10.1016/S0040-4039(00)84514-1
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylbenzofuran(21535-97-7)1HNMR
3-Methylbenzofuran(21535-97-7)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methylbenzofuran, 98%(21535-97-7)
[Sigma Aldrich]

21535-97-7(sigmaaldrich)
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