7439-86-3

Basic information

• Product Name: BROMOETHANE-2,2,2-D3
• Synonyms: BROMOETHANE-2,2,2-D3;BROMOETHANE-2,2,2-D3, 99 ATOM % D;ethyl-2,2,2-d3bromide
• CAS NO: 7439-86-3
• Molecular Formula: C₂H₅Br
• Molecular Weight: 111.98
• Product Categories: Miscellaneous Reagents, Isotope Labeled Compounds, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 7439-86-3.mol
• Article Data: 11

Chemical Properties

• Melting Point: −119 °C(lit.)
• Boiling Point: 37-40 °C(lit.)
• Flash Point: −10 °F
• Appearance: /
• Density: 1.500 g/mL at 25 °C
• Vapor Pressure: 454.77mmHg at 25°C
• Refractive Index: n20/D 1.4235(lit.)
• Storage Temp.: 0-6°C
• CAS DataBase Reference: BROMOETHANE-2,2,2-D3(CAS DataBase Reference)
• NIST Chemistry Reference: BROMOETHANE-2,2,2-D3(7439-86-3)
• EPA Substance Registry System: BROMOETHANE-2,2,2-D3(7439-86-3)

Safety Data

• Hazard Codes: F,T,Xn
• Statements: 45-11-20/21/22-36/37/38-40-20/22
• Safety Statements: 53-16-26-36/37/39-45-36/37
• RIDADR: UN 1891 6.1/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 7439-86-3(Hazardous Substances Data)

Usage

Uses

BROMOETHANE-2,2,2-D3,which is used in the synthesis of novel non-competitive antagonists of kainate Glu1/Glu2 receptors. Also it is used in the synthesis of tryptophan analogues.

InChI:InChI=1/C2H5Br/c1-2-3/h2H2,1H3/i1D3

Upstream product

• 1759-87-1 2,2,2-trideuteroethanol 
• 1112-02-3 d⁽³⁾-acetic acid 
• 41251-37-0 methyl-d3-magnesium iodide 
• 74-95-3 1,1-dibromomethane 

Downstream Products

• 55724-42-0 1-Brom-<4,4,4-D3>butan 
• 1560-55-0 (2,2,2-trideuterioethyl)triphenyl phosphonium bromide 
• 117666-13-4 ethyl-2,2,2-d3 phenyl sulfide 
• 36789-14-7 (4,4,4-2H3)-butyric acid 
• 64156-70-3 n-butyl-4,4,4-d₃ alcohol 
• 498542-81-7 1,3-dimethoxy-5-(1'-hydroxy[3',3',3'-⁽²⁾H₃]propyl)benzene 
• 504396-89-8 1,3-dimethoxy-5-[3'-hydroxy-5'-(2H₃)-pentyl]benzene 
• 758640-21-0 N-Benzylaniline 
• 1246674-43-0 C₁₅H₁₄⁽²⁾H₃N 
• 2879-66-5 (1R,2S)-1,2,N,N'-Tetraphenyl-ethane-1,2-diamine 
• 1246674-41-8 C₁₅H₁₅⁽²⁾H₂N 
• 1246674-42-9 C₁₅H₁₅⁽²⁾H₂N 
• 64118-19-0 5,5,5-(2)H3-n-pentanol 

Relevant articles and documents

Conformation of the Ethoxy Group in 4-Ethoxy-4'-cyanobiphenyl

The deuterium and proton NMR spectra of samples of 4-ethoxy-4'-cyanobiphenyl dissolved in the nematic liquid crystal 4-hexyloxy-4'-cyanobiphenyl have been analyzed to yield quadrupolar splittings and dipolar couplings.The data are compared with values calculated for three models for the conformations adopted by the ethoxy group relative to the attached phenyl ring.These models are (a) a set of four, symmetry-related structures, (b) discrete, minimum-energy structures generated by jumps about the C4-O, O-C7, and C7-C8 bonds, and (c) the same as (b) except that a continuous potential is adopted for the motion about the O-C7 bond.

Raman spectroscopy of n-pentyl methyl ether and deuterium labelledanalogues

The Raman spectra of n-pentyl methyl ether, C5H 11OCH3, and six selectively deuteriated analogues arereported and discussed. Correlations between the observed ν(sp 3CH)stretching and bending bands and the position of the deuterium atoms in thealkyl chain are developed and refined. Similar progress is possible inassociating specific skeletal vibrations with bands in the Raman spectra. Therelevance of this study to improving the assignment of bands in the Ramanspectra of larger systems of biological interest is highlighted. Copyright

Intermediacy of ion neutral complexes in the fragmentation of short-chain dialkyl sulfides

The main fragmentation processes after electron ionization of butyl methyl and butyl ethyl sulfides are rationalized by the intermediacy of the ion neutral complex [RSH · methylcyclopropane](+·) as demonstrated by extensive labeling and collision activation studies.