13183-68-1

Basic information

• Product Name: 2-METHYLPROPANE-2-D
• Synonyms: (CH3)3CD;Isobutane-d1;Propane-2-d, 2-methyl-;2-METHYLPROPANE-2-D;2-METHYLPROPANE-2-D1;2-METHYLPROPANE-2-D, 98 ATOM % D;2-Methylpropane-2-D1 (gas);isobutane-2-d
• CAS NO: 13183-68-1
• Molecular Formula: C₄H₁₀
• Molecular Weight: 59.13
• Mol File: 13183-68-1.mol
• Article Data: 5

Chemical Properties

• Melting Point: −160 °C(lit.)
• Boiling Point: −12 °C(lit.)
• Flash Point: -83°C
• Appearance: /
• Density: 0.622 g/cm³
• Vapor Density: 2.01 (21 °C, vs air)
• Vapor Pressure: 1536 mm Hg ( 21 °C)
• Refractive Index: 1.352
• CAS DataBase Reference: 2-METHYLPROPANE-2-D(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYLPROPANE-2-D(13183-68-1)
• EPA Substance Registry System: 2-METHYLPROPANE-2-D(13183-68-1)

Safety Data

• Hazard Codes: F,F+
• Statements: 11-12
• Safety Statements: 16-33-36-38
• RIDADR: UN 1969 2.1
• WGK Germany: 3
• Hazardous Substances Data: 13183-68-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C4H10/c1-4(2)3/h4H,1-3H3/i4H

Upstream product

• 677-22-5 tert-butylmagnesium chloride 
• 507-20-0 tertiary butyl chloride 
• 75-28-5 Isobutane 
• 123499-10-5 (dideuteriomethylene)triphenylphosphorane 
• 594-19-4 tert.-butyl lithium 
• 67108-87-6 (η5-pentamethylcyclopentadienyl)2(zirconium)(D)(CH2CD(CH3)2) 
• 67108-86-5 (η5-pentamethylcyclopentadienyl)2(zirconium)(H)(iosbutyl)2 

Downstream Products

• 507-20-0 tertiary butyl chloride 
• 60640-37-1 1-chloro-2-deuterio-2-methyl-propane 
• 34557-54-5 methane 
• 676-49-3 Monodeuteromethan 
• 19170-96-8 decadeuterioisobutane 
• 74-85-1 ethene 
• 2680-00-4 ethylene-d1 
• 75-28-5 Isobutane 
• 1333-74-0 hydrogen 
• 16873-17-9 deuterium 
• 2680-01-5 ethylene-d3 
• 683-73-8 Ethylene-d4 
• 34097-83-1 2-methylpentane-2d 

Relevant articles and documents

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Synthesis of deuterium labeled isobutane: Isobutane-2-d1, isobutane-1-d9 and isobutane-d10

2-Methylpropane-2-d1 (isobutane-2-d1), 2-(methyl-d3)-propane-1,1,1,3,3,3-d6 (nonadeuterated isobutane) and 2-methylpropane-d10 (perdeuterated isobutane) were synthesized by using a combination of classical organic chemistry and recently developed H/D exchange processes on solid acids. Isobutane-2-d1 was synthesized from t-butyl chloride by Grignard synthesis with an overall yield of 27.0% (chemical purity: 99.9% and isotopic purity: 96.0%). Isobutane-1-d9 was prepared by H/D exchange of 2-methylpropane (isobutane) with a D2O exchanged zeolite. The deuteriated product was obtained with an overall yield of 80.0% (chemical purity: 99.9% and isotopic purity: 98.7%). Perdeuteriated isobutane was prepared by reacting isobutane-2-d1 with 98.0% deuteriated sulfuric acid and was obtained in a total yield of 98.0% (chemical purity: 99.8% and isotopic purity: 97.9%).

Ionische Halogenierungen von Kohlenwasserstoffen mit tertiaeren Alkylhalogeniden and Lewis-Saeuren als Katalysator.

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