151971

Octane-d₁₈

98 atom % D

• Fórmula lineal: CD₃(CD₂)₆CD₃
• Número de CAS: 17252-77-6
• Peso molecular: 132.34
• EC Number: 241-285-3
• MDL number: MFCD00037626
• UNSPSC Code: 12142201
• PubChem Substance ID: 24849186
• NACRES: NA.21

Propiedades

• isotopic purity: 98 atom % D
• Quality Level: 200
• assay: 99% (CP)
• form: liquid
• expl. lim.: 0.34-6.3 % (lit.)
• technique(s): NMR: suitable
• refractive index: n20/D 1.394 (lit.)
• bp: 125-127 °C
• mp: -57 °C (lit.)
• density: 0.815 g/mL at 25 °C (lit.)
• mass shift: M+18
• SMILES string: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• InChI: 1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2
• Inchi Key: TVMXDCGIABBOFY-VAZJTQEUSA-N

Descripción

General description

Octane-d₁₈ is a deuterated NMR solvent. It is useful in NMR-based research and analyses. It can be prepared starting from n-octane. It undergoes H/D (Hydrogen/Deuterium) exchange reaction with mono pinacolboryl complex at 110°C.

Application

Octane-d₁₈ has been used to evaluate the separation factors of the deuterated octane isomers by gas chromatography (GC).

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Información de seguridad

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H410
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 55.4 °F - closed cup
• flash_point_c: 13 °C - closed cup