2-Bromo-1-naphthaldehyde

CAS: 269066-75-3

Ref. TR-B699378

Informação sobre produto

• Nome: 2-Bromo-1-naphthaldehyde
• Sinónimos: 2-Bromonaphthalene-1-carboxaldehyde, 2-Bromo-1-naphthalenecarboxaldehyde

Descrição

Applications 2-Bromo-1-naphthaldehyde is an intermdiate in he synthesis of 3-Methylchrysene which is one of the methylated chrysenes (MeChry), as an aryl hydrocarbon receptor (AhR) agonist. Methylated chrysenes (MeChry) are important cigarette smoke constituents and 5-MeChry has been listed as possibly carcinogenic to humans. 3-Methylchrysene is a possible carcinogenic agent.
References Amin, S., et al.: Cancer Res., 45, 6406 (1985), Blaha, L., et al.: Toxicol. Sci., 65, 43 (2002), Brack, W., et al.: Environ. Sci. Technol., 37, 3062 (2003), Andrysik, Z., et al.: Mutat. Res., 615, 87 (2007),

• Marca: TRC

Propriedades químicas

• Peso molecular: 454.934
• Fórmula: C₁₁H₇BrO
• Cor/forma: Fluffy Solid
• InChI: InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23+/m0/s1/i8D2,12D2
• Chave InChI: InChIKey=OBWASQILIWPZMG-XWIDBMKHSA-N
• SMILES: [2H]C1([2H])C[C@H](Oc2ccc(Cc3cc([C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C([2H])([2H])O1