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196347

2-(3-Benzoylphenyl)propionitrile

Name: 2-(3-Benzoylphenyl)propionitrile
Brand: ALDRICH

95%

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About This Item

Linear Formula:

CH₃CH(C₆H₄COC₆H₅)CN

CAS Number:

42872-30-0

Molecular Weight:

235.28

UNSPSC Code:

12352100

PubChem Substance ID:

24851754

EC Number:

255-982-5

MDL number:

MFCD00044435

Assay:

95%

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Properties

Quality Level

100

assay

95%

mp

47-53 °C (lit.)

SMILES string

CC(C#N)c1cccc(c1)C(=O)c2ccccc2

InChI

1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3

InChI key

RGYOCHMZSLUCNP-UHFFFAOYSA-N

Description

General description

2-(3-Benzoylphenyl)propionitrile is the precursor for ketoprofen, widely used anti-inflammatory drug.

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number

12227PI

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Purity assay of ketoprofen by high-performance liquid chromatography.

P Pietta et al.

Journal of chromatography, 387, 525-527 (1987-01-30)