151815

Benzene-D₆

99.6 atom % D

• Synonym(s): Hexadeuterobenzene
• Empirical Formula (Hill Notation): C₆D₆
• CAS Number: 1076-43-3
• Molecular Weight: 84.15
• Beilstein: 1905426
• EC Number: 214-061-8
• MDL number: MFCD00003010
• UNSPSC Code: 12142201
• PubChem Substance ID: 24849165
• NACRES: NA.11

Properties

• isotopic purity: 99.6 atom % D
• Quality Level: 100
• Assay: ≥99% (CP)
• form: liquid
• expl. lim.: 0.34-6.3 % (lit.)
• technique(s): NMR: suitable
• impurities: ≤0.01% water; water
• refractive index: n20/D 1.497 (lit.)
• bp: 79.1 °C/760 mmHg (lit.)
• mp: 6.8 °C (lit.)
• density: 0.950 g/mL at 25 °C (lit.)
• mass shift: M+6
• SMILES string: [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
• InChI key: UHOVQNZJYSORNB-MZWXYZOWSA-N

Description

General description

Benzene-d₆ (C₆D₆) is a deuterated derivative of benzene. It is a standard purity solvent for NMR (Nuclear Magnetic Resonance) analyses. 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. Benzene-d₆ participates in the synthesis of isotopically labeled samples.

Application

Benzene-d₆ may be used as a deuterated solvent for the ¹H NMR studies of μ-methylene-bis(η⁵-cyclopentadienylcarbonylcobalt), a bridging methylene complex.

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Safety Information

• Pictograms: GHS02,GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H304,H315,H319,H340,H350,H372,H412
• Precautionary Statements: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Hazard Classifications: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
• Target Organs: Blood
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 12.2 °F - closed cup
• Flash Point(C): -11 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves