175870

Benzeno-D₆

"100%", 99.96 atom % D

• Sinônimo(s): Benzeno hexadeuterado
• Fórmula empírica (Notação de Hill): C₆D₆
• Número CAS: 1076-43-3
• Peso molecular: 84.15
• Beilstein: 1905426
• Número CE: 214-061-8
• Número MDL: MFCD00003010
• Código UNSPSC: 12142201
• ID de substância PubChem: 24850534
• NACRES: NA.21

Propriedades

• pureza isotópica: 99.96 atom % D
• Ensaio: ≥99% (CP)
• Formulário: liquid
• Lim. expl.: 0.34-6.3 % (lit.)
• técnica(s): NMR: suitable
• Impurezas: ≤0.0100% water; water
• índice de refração: n20/D 1.497 (lit.)
• p.e.: 79.1 °C/760 mmHg (lit.)
• pf: 6.8 °C (lit.)
• densidade: 0.950 g/mL at 25 °C (lit.)
• alteração de massa: M+6
• cadeia de caracteres SMILES: [2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]
• InChI: 1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
• chave InChI: UHOVQNZJYSORNB-MZWXYZOWSA-N

Descrição

Descrição geral

Benzene-d₆ (C₆D₆) is a deuterated derivative of benzene. It is 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Its Soret coefficient S(T) has been measured by the transient holographic grating technique. Its first resonance Raman spectrum and infrared absorption intensities (in the range of 5000-450cm^-1) have been reported. It participates in the synthesis of isotopically labeled samples.

Aplicação

Benzene-d₆ may be used as a ¹H and ¹³C-NMR solvent. It may also be used for the synthesis of isotopically labeled samples and for the internal calibration of benzene stock solution during headspace-solid-phase microextraction.

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Informações de segurança

• Pictogramas: GHS02,GHS08,GHS07
• Palavra indicadora: Danger
• Frases de perigo: H225,H304,H315,H319,H340,H350,H372,H412
• Declarações de precaução: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Classificações de perigo: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
• Órgãos-alvo: Blood
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 12.2 °F - closed cup
• Ponto de fulgor (°C): -11 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter