Vinyl-d3 bromide

Base Information

• Chemical Name: Vinyl-d3 bromide
• CAS No.: 4666-78-8
• Molecular Formula: C₂H₃Br
• Molecular Weight: 109.926
• European Community (EC) Number: 686-150-3
• DSSTox Substance ID: DTXSID50963631
• Mol file: 4666-78-8.mol

Synonyms:Vinyl-d3 bromide;4666-78-8;1-bromo-1,2,2-trideuterioethene;1-bromo(?H?)ethene;Bromo(~2~H_3_)ethene;SCHEMBL23496751;DTXSID50963631;INLLPKCGLOXCIV-FUDHJZNOSA-N;D98575;Vinyl-d3 bromide, >=98 atom % D, >=99% (CP), contains hydroquinone as stabilizer

Chemical Property of Vinyl-d3 bromide

Chemical Property:

• Melting Point: -139 °C(lit.)
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: 16 °C/750 mmHg(lit.)
• PSA: 0.00000
• Density: 1.56 g/mL at 25 °C(lit.)
• LogP: 1.52480
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 108.96064
• Heavy Atom Count: 3
• Complexity: 10.3

Purity/Quality:

Vinyl-d3Bromide,SolutioninTHF(1M) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F+,T
• Statements: 45-12
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CBr
• Isomeric SMILES: [2H]C(=C([2H])Br)[2H]
• Uses: A short-chain haloalkene isotope.

Technology Process of Vinyl-d3 bromide

There total 5 articles about Vinyl-d3 bromide 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:

1,2-dibromoethane-d4 (22581-63-1) → 1-bromo-1 ,2,2-trideuterioethylene (4666-78-8)

Guidance literature:

With water-d2; potassium hydroxide; In ethanol-d6; at 33 - 63 ℃; for 3h;

Reference yield:

acetylene-d2 (1070-74-2) → 1-bromo-1 ,2,2-trideuterioethylene (4666-78-8)

Guidance literature:

With deuterium bromide; Irradiation_.UV;

Reference yield:

acetylene-d2 (1070-74-2) → 1-bromo-1 ,2,2-trideuterioethylene (4666-78-8) + acetylene-d1 (2210-34-6) + (Z)-1-bromo-1,2-dideuterio-ethene (683-49-8) + deuteriobromoacetylene (4387-24-0) + deuteriobromodiacetylene + C2H(2)H*Br(2)H

Guidance literature:

With hydrogen bromide; at -261.2 ℃; for 6.55h; Product distribution; Irradiation;

DOI:10.1021/j100097a017

upstream raw materials:

acetylene-d2

1,2-dibromoethane-d4

Downstream raw materials:

1,2-Dibrom-1,1,2-trideuteroethan

Refernces

• 1、 -. "KRAS G12C INHIBITORS". Page/Page column 128. . Retrieved 2021/06/22.