175870

Benceno-D₆

"100%", 99.96 atom % D

• Sinónimos: Hexadeuterobenceno
• Fórmula empírica (notación de Hill): C₆D₆
• Número de CAS: 1076-43-3
• Peso molecular: 84.15
• Beilstein: 1905426
• Número CE: 214-061-8
• Número MDL: MFCD00003010
• Código UNSPSC: 12142201
• ID de la sustancia en PubChem: 24850534
• NACRES: NA.21

Propiedades

• pureza isotópica: 99.96 atom % D
• Análisis: ≥99% (CP)
• formulario: liquid
• lim. expl.: 0.34-6.3 % (lit.)
• técnicas: NMR: suitable
• impurezas: ≤0.0100% water; water
• índice de refracción: n20/D 1.497 (lit.)
• bp: 79.1 °C/760 mmHg (lit.)
• mp: 6.8 °C (lit.)
• densidad: 0.950 g/mL at 25 °C (lit.)
• cambio de masa: M+6
• cadena 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
• Clave InChI: UHOVQNZJYSORNB-MZWXYZOWSA-N

Descripción

Descripción general

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.

Aplicación

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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Información de seguridad

• Pictogramas: GHS02,GHS08,GHS07
• Palabra de señalización: Danger
• Frases de peligro: H225,H304,H315,H319,H340,H350,H372,H412
• Consejos de prudencia: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Clasificaciones de peligro: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
• Órganos de actuación: Blood
• Código de clase de almacenamiento: 3 - Flammable liquids
• Clase de riesgo para el agua (WGK): WGK 3
• Punto de inflamabilidad (°F): 12.2 °F - closed cup
• Punto de inflamabilidad (°C): -11 °C - closed cup
• Equipo de protección personal: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter