918-20-7

Basic information

• Product Name: 2-CHLORO-2-METHYLPROPANE-D9
• Synonyms: TERT-BUTYL-D9 CHLORIDE;TERT-BUTYL CHLORIDE (D9);[2H9]-tert-butylchloride;2-CHLORO-2-METHYLPROPANE-D9;2-CHLORO-2-METHYLPROPANE-D9, 99 ATOM % D;Propane-1,1,1,3,3,3-d6, 2-chloro-2-(methyl-d3)-;(2-Cloro-2-Methylpropane);2-Chloro-2-(2H3)methyl(1,1,1,3,3,3-2H6)propane
• CAS NO: 918-20-7
• Molecular Formula: C₄H₉Cl
• Molecular Weight: 101.62
• EINECS: 213-041-6
• Product Categories: Isotope Labelled Compounds, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 918-20-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: -25 °C(lit.)
• Boiling Point: 51-52 °C(lit.)
• Flash Point: 65 °F
• Appearance: /
• Density: 0.933 g/mL at 25 °C
• Vapor Pressure: 5.11 psi ( 20 °C)
• Refractive Index: n20/D 1.3819(lit.)
• Storage Temp.: Refrigerator
• Solubility: Chlroform (Soluble), Methanol (Slightly)
• Stability: Volatile
• CAS DataBase Reference: 2-CHLORO-2-METHYLPROPANE-D9(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-2-METHYLPROPANE-D9(918-20-7)
• EPA Substance Registry System: 2-CHLORO-2-METHYLPROPANE-D9(918-20-7)

Safety Data

• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-29-33-7/9
• RIDADR: UN 1127 3/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 918-20-7(Hazardous Substances Data)

Usage

Uses

Isotope labelled 2-Chloro-2-methylpropane is a starting molecule to carry out nucleophilic substitution reactions.

InChI:InChI=1/C4H9Cl/c1-4(2,3)5/h1-3H3/i1D3,2D3,3D3

Upstream product

• 25725-11-5 [D₉]-tert-butyl alcohol 
• 53001-22-2 tert-butanol-d10 

Downstream Products

• 90137-14-7 tert-butylaldehyde-d₉ 
• 42983-07-3 2,2-dimethylpropanoic acid-d₉ 
• 209963-71-3 d14-tert-butylbenzene 
• 5152-54-5 neopentane-d12 
• 58247-37-3 2,4,6-tris(perdeuterio-tert-butyl)benzene 
• 95926-89-9 2,2-Di(<2H3>methyl)propansaeure 
• 42983-09-5 3,3-(dimethyl-d6)-butan-4,4,4-d3-2-one 
• 1413431-25-0 2,4-di(tert-butyl-d₉)-3,5,6-d₃-phenol 
• 20762-54-3 isobutene-d8 
• 75-65-0 tert-butyl alcohol 
• 58247-38-4 1,4-di-tert-butylbenzene-d18 
• 56248-36-3 tert-butylbenzene-d9 
• 19170-96-8 decadeuterioisobutane 
• 141708-53-4 1,4-di-tert-butylbenzene-d22 

Relevant articles and documents

Kinetic Isotope Effects for Hydrogen Abstraction from a Series of Cycloalkanes and Branched Alkanes by Hydrogen Atoms in the Gaseous Phase

Hydrogen atoms produced in the radiolysis of water vapor were used to determine the kinetic isotope effects for the reactions H(.) + RH(RD) -> H2(RD) + R(.) H(KD)>, where RH is a perprotiated alkane and RD is the corresponding perdeuterated alkane.The alkanes studied include a homologous series of cycloalkanes, cyclopentane through cyclododecane, and isobutane, 2,3-dimethylbutane, 2,3,4-trimethylpentane, and neopentane.The results were expressed in terms of the Arrhenius-type equation kH/kD = AH/AD expD-EH)(kJ mol-1)/RT>, over the temperature range of 363-463 K.The values for the ratio AH/AD range from 0.32 to 0.75, and the activation energy differences ED-EH vary from 6.8 to 11.0 kJ/mol, depending on the molecular structures of the reactants.The variation in the values of ED-EH was correlated with the bond dissociation energies of the C-H bond being broken.Theoretical calculations based on transition-state theory combined with the London-Eyring-Polanyi-Sato potetial energy surfaces could reproduce the major features of the experimental results when tunnel effects were taken into consideration.