Benzyl bromide-d7

Base Information

• Chemical Name: Benzyl bromide-d7
• CAS No.: 35656-93-0
• Molecular Formula: C7Br D7
• Molecular Weight: 177.981
• European Community (EC) Number: 663-890-5
• DSSTox Substance ID: DTXSID90480953
• Wikidata: Q82316117
• Mol file: 35656-93-0.mol

Synonyms:Benzyl bromide-d7;35656-93-0;Benzyl-D7 Bromide;1-[bromo(dideuterio)methyl]-2,3,4,5,6-pentadeuteriobenzene;SCHEMBL1331710;DTXSID90480953;Benzyl bromide-d7, 98 atom % D;D97923

Chemical Property of Benzyl bromide-d7

Chemical Property:

• Melting Point: −3-−1 °C(lit.)
• Refractive Index: n20/D 1.574(lit.)
• Boiling Point: 198-199 °C(lit.)
• Flash Point: 188 °F
• PSA: 0.00000
• Density: 1.497 g/mL at 25 °C
• LogP: 2.58150
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 177.01705
• Heavy Atom Count: 8
• Complexity: 55.4

Purity/Quality:

99%, ^*data from raw suppliers

Benzyl-d7 Bromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CBr
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])Br)[2H])[2H]

Technology Process of Benzyl bromide-d7

There total 5 articles about Benzyl bromide-d7 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: 84.0%

(2)H8-toluene (2037-26-5) → perdeuteriobenzyl bromide (35656-93-0)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 0.666667h; Heating;

DOI:10.1016/S0957-4166(00)00321-9

Reference yield: 62.0%

2,3,4,5,6-pentadeuteriotoluene (1603-99-2) → perdeuteriobenzyl bromide (35656-93-0)

Guidance literature:

With N-Bromosuccinimide; tert-Butyl peroxybenzoate; In tetrachloromethane; at 90 ℃; for 2h; Inert atmosphere;

Reference yield:

benzyl chloride-d7 (59502-05-5) → perdeuteriobenzyl bromide (35656-93-0)

Guidance literature:

With lithium bromide; In methanol; acetone; at 20 ℃;

DOI:10.1021/ja993570b

upstream raw materials:

heptadeuteriotoluene

⁽²⁾H₈-toluene

benzyl chloride-d7

2,3,4,5,6-pentadeuteriotoluene

Downstream raw materials:

1-((D₇)-Benzyl)imidazole

2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile

N-phthaloylbenzylamine

C₂₀H₂₃⁽²⁾H₇N₂O₃