539392

2-Bromo-4′-cyanoacetophenone

96%

• Fórmula lineal: BrCH₂COC₆H₄CN
• Número de CAS: 20099-89-2
• Peso molecular: 224.05
• MDL number: MFCD00052931
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878394
• NACRES: NA.22

Propiedades

• assay: 96%
• mp: 92-96 °C (lit.)
• functional group: bromo; ketone; nitrile
• SMILES string: BrCC(=O)c1ccc(cc1)C#N
• InChI: 1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2
• InChI key: LJANCPRIUMHGJE-UHFFFAOYSA-N

Descripción

General description

2-Bromo-4′-cyanoacetophenone can be synthesized from ethylbenzene via aerobic photooxidation using aqueous HBr.

Application

2-Bromo-4′-cyanoacetophenone may be used to synthesize:

• 3-acylindolizines
• (2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
• 1-[2-(4-cyanophenyl)-2-oxoethyl]-1,10-phenanthrolinium bromide

Información de seguridad

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H314
• pcodes: P260 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges