1,2-Dibromo-(1,1,2,2-2H4)ethane

Base Information

• Chemical Name: 1,2-Dibromo-(1,1,2,2-2H4)ethane
• CAS No.: 22581-63-1
• Molecular Formula: C2D4Br2
• Molecular Weight: 191.83
• European Community (EC) Number: 245-102-8
• DSSTox Substance ID: DTXSID40177104
• Nikkaji Number: J286.250F
• Wikidata: Q72465076
• Mol file: 22581-63-1.mol

Synonyms:tetradeutero-1,2-dibromoethane

Chemical Property of 1,2-Dibromo-(1,1,2,2-2H4)ethane

Chemical Property:

• Vapor Pressure: 12mmHg at 25°C
• Melting Point: 9 °C
• Refractive Index: n20/D 1.536(lit.)
• Boiling Point: 130.2 °C at 760 mmHg
• Flash Point: 12.6 °C
• PSA: 0.00000
• Density: 2.182 g/cm³
• LogP: 1.77620
• Storage Temp.: Refrigerator
• Solubility.: Acetonitrile, Chloroform
• Water Solubility.: Insoluble in water. Soluble in chloroform.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 191.89103
• Heavy Atom Count: 4
• Complexity: 6

Purity/Quality:

99%, ^*data from raw suppliers

Dibromoethane-d4 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-23/24/25-36/37/38-51/53
• Safety Statements: 53-45

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CBr)Br
• Isomeric SMILES: [2H]C([2H])(C([2H])([2H])Br)Br
• Uses: As labelled Dibromoethane, a short-chain haloalkane isotope, DibroMoethane-d4 can be used to hepatotoxicity and hepatic DNA damage of 1,2-dibromoethane. Dibromoethane was shown to cause DNA single-strand breaks in isolated rat h epatocytes. It is employed as a mutagenesis research chemical. Dibromoethane was shown to cause DNA single-strand breaks in isolated rat hepatocytes.

Technology Process of 1,2-Dibromo-(1,1,2,2-2H4)ethane

There total 5 articles about 1,2-Dibromo-(1,1,2,2-2H4)ethane 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:

[1,1,2,2-(2)H4]ethane-1,2-diol (2219-51-4) → 1,2-dibromoethane-d4 (22581-63-1)

Guidance literature:

With bromine; P; at 140 ℃; for 1h; Heating;

DOI:10.1021/ja020269d

Reference yield:

acetylene-d2 (1070-74-2) → 1,2-dibromoethane-d4 (22581-63-1)

Guidance literature:

With deuterium bromide;

DOI:10.1139/v52-112 DOI:10.1021/ja01275a073

Reference yield:

Ethylene-d4 (683-73-8,25549-98-8) → 1,2-dibromoethane-d4 (22581-63-1)

Guidance literature:

With tetrachloromethane; bromine;

DOI:10.1021/jo01363a618 DOI:10.1021/jo01118a042

upstream raw materials:

acetylene-d2

Ethylene-d4

[1,1,2,2-⁽²⁾H₄]ethane-1,2-diol

Downstream raw materials:

oxirane-d4

Ethylene-d4

[4-(2-[D₄]Bromoethoxy)-3-methoxyphenyl]methanol

2-[4-(2-[D₄]Bromoethoxy)-3-[D₃]methoxybenzyloxy]tetrahydropyran

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