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

Base Information

• Chemical Name: 2,2-Dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile
• CAS No.: 65538-26-3
• Molecular Formula: C8D7N
• Molecular Weight: 124.191012446
• European Community (EC) Number: 693-077-0
• DSSTox Substance ID: DTXSID40584076
• Wikidata: Q82475707
• Mol file: 65538-26-3.mol

Synonyms:65538-26-3;2,2-dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile;SCHEMBL1331636;DTXSID40584076;Benzyl-d7 cyanide,98 atom % d;Benzyl cyanide-d7, 98 atom % D;(~2~H_5_)Phenyl(~2~H_2_)acetonitrile

Chemical Property of 2,2-Dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile

Chemical Property:

• Melting Point: −24 °C(lit.)
• Refractive Index: n20/D 1.521(lit.)
• Boiling Point: 233-234 °C(lit.)
• Flash Point: 215 °F
• PSA: 23.79000
• Density: 1.076 g/mL at 25 °C(lit.)
• LogP: 1.75268
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.101786449
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Hazard Codes: T,T+
• Statements: 23/24/25-36/38-26-24-22
• Safety Statements: 26-36/37/39-45-36/37-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC#N
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C#N)[2H])[2H]

Technology Process of 2,2-Dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile

There total 2 articles about 2,2-Dideuterio-2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile 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:

perdeuteriobenzyl bromide (35656-93-0) + sodium cyanide (143-33-9,25596-52-5) → [1,1,2',3',4',5',6'-2H7]-phenylacetonitrile (65538-26-3)

Guidance literature:

With tetrabutylammomium bromide; In water; at 120 ℃; for 8h;

DOI:10.1002/jlcr.1524

Reference yield:

→ [1,1,2',3',4',5',6'-2H7]-phenylacetonitrile (65538-26-3)

Guidance literature:

Aus Benzylbromid-d7 mit NaCN/D2O;

DOI:10.1016/S0040-4020(01)91464-4

Reference yield: 91.3%

[1,1,2',3',4',5',6'-2H7]-phenylacetonitrile (65538-26-3) → 5-[2H7]benzyl-1H-tetrazole (1135848-53-1)

Guidance literature:

With sodium azide; ammonium chloride; In N,N-dimethyl-formamide; Heating;

DOI:10.1002/jlcr.1524

upstream raw materials:

perdeuteriobenzyl bromide

sodium cyanide

Downstream raw materials:

[1,1,2,2,2',3',4',5',6'-2H₉]-2-phenylethylamine

5-[2H₇]benzyl-1H-tetrazole

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 65538-26-3 BENZYL-D7 CYANIDE, 98 ATOM % D

Send

Send

Metric Ton KG G Pound L ML

Send

Send