303003

Hexane-d₁₄

99 atom % D

• Synonym(s): Tetradecadeuterohexane
• Linear Formula: CD₃(CD₂)₄CD₃
• CAS Number: 21666-38-6
• Molecular Weight: 100.26
• UNSPSC Code: 12142201
• NACRES: NA.21
• PubChem Substance ID: 24858287
• MDL number: MFCD00037562
• Beilstein/REAXYS Number: 1841418
• Isotopic purity: 99 atom % D
• Assay: 99% (CP)
• Mass shift: M+14
• Form: liquid

Properties

• vapor density: 3 (vs air)
• Quality Segment: 200
• vapor pressure: 132 mmHg ( 20 °C)
• isotopic purity: 99 atom % D
• assay: 99% (CP)
• form: liquid
• expl. lim.: 7.7 %
• technique(s): NMR: suitable
• impurities: ≤0.5% water; water
• refractive index: n20/D 1.3718 (lit.)
• bp: 69 °C
• mp: -95 °C (lit.)
• density: 0.767 g/mL at 25 °C (lit.)
• mass shift: M+14
• SMILES string: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• InChI: 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2
• InChI key: VLKZOEOYAKHREP-ZLKPZJALSA-N

Description

General description

Hexane-d₁₄ is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Other Notes

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Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H361f,H373,H411
• pcodes: P202 - P210 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
• target_organs: Central nervous system, Nervous system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 3
• flash_point_f: 10.4 °F - closed cup
• flash_point_c: -12 °C - closed cup