490482

Pentane-d₁₂

98 atom % D

• Linear Formula: CD₃(CD₂)₃CD₃
• CAS Number: 2031-90-5
• Molecular Weight: 84.22
• NACRES: NA.21
• PubChem Substance ID: 24872566
• UNSPSC Code: 12142201
• MDL number: MFCD00190495
• Isotopic purity: 98 atom % D
• Assay: 99% (CP)
• Mass shift: M+12
• Form: liquid

Properties

• isotopic purity: 98 atom % D
• Quality Segment: 200
• assay: 99% (CP)
• form: liquid
• technique(s): NMR: suitable
• refractive index: n20/D 1.358 (lit.)
• bp: 36 °C (lit.)
• mp: -130 °C (lit.)
• density: 0.731 g/mL at 25 °C (lit.)
• mass shift: M+12
• SMILES string: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• InChI: 1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3/i1D3,2D3,3D2,4D2,5D2
• InChI key: OFBQJSOFQDEBGM-HYVJACIRSA-N

Description

General description

Pentane-d₁₂ is a deuterated NMR solvent useful in NMR-based research and analyses.

Other Notes

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Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H304,H336
• pcodes: P210 - P233 - P240 - P241 - P301 + P310 - P331
• Hazard Classifications: Asp. Tox. 1 - Flam. Liq. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk: WGK 3
• flash_point_f: -56.2 °F - closed cup
• flash_point_c: -49.00 °C - closed cup