Bromoethane-1-13C

Base Information

• Chemical Name: Bromoethane-1-13C
• CAS No.: 92276-91-0
• Molecular Formula: C2H5 Br
• Molecular Weight: 109.97
• European Community (EC) Number: 687-175-2
• DSSTox Substance ID: DTXSID70583916
• Wikidata: Q82475527
• Mol file: 92276-91-0.mol

Synonyms:Bromoethane-1-13C;bromo(113C)ethane;92276-91-0;Bromo(1-~13~C)ethane;SCHEMBL1330309;DTXSID70583916;AKOS015913214;Bromoethane-1-13C, 99 atom % 13C

Chemical Property of Bromoethane-1-13C

Chemical Property:

• Melting Point: −119 °C(lit.)
• Refractive Index: n20/D 1.4235(lit.)
• Boiling Point: 37-40 °C(lit.)
• Flash Point: −10 °F
• PSA: 0.00000
• Density: 1.473 g/mL at 25 °C
• LogP: 1.40120
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 108.96082
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

95% ^*data from raw suppliers

Bromoethane-1-13C 99 atom % ^*data from reagent suppliers

Safty Information:

• 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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCBr
• Isomeric SMILES: C[13CH2]Br

Technology Process of Bromoethane-1-13C

There total 1 articles about Bromoethane-1-13C which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethanol-1-13C (14742-23-5) → <1-13C>Ethyl bromide (92276-91-0)

Guidance literature:

With sulfuric acid; hydrogen bromide;

DOI:10.1021/ja00259a012

Reference yield: 82.0%

<1-13C>Ethyl bromide (92276-91-0) + 1-formyl-4-phenyl-1,2,3,6-tetrahydropyridine (496916-48-4) → 1-[2-13C]-cyclopropyl-4-phenyl-1,2,3,6-tetrahydropyridine

Guidance literature:

<1-13C>Ethyl bromide; With magnesium; In tetrahydrofuran; for 3h; Heating;

1-formyl-4-phenyl-1,2,3,6-tetrahydropyridine; With titanium(IV) isopropylate; In tetrahydrofuran; at 25 ℃; for 18h;

DOI:10.1002/jlcr.605

upstream raw materials:

ethanol-1-13C

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