(2,3,4,5,6-Pentadeuteriophenyl)hydrazine

Base Information

• Chemical Name: (2,3,4,5,6-Pentadeuteriophenyl)hydrazine
• CAS No.: 125687-18-5
• Molecular Formula: C6H4ClD5N2
• Molecular Weight: 149.564
• DSSTox Substance ID: DTXSID40514631
• Wikidata: Q82375075
• Mol file: 125687-18-5.mol

Synonyms:(2,3,4,5,6-Pentadeuteriophenyl)hydrazine;125687-18-5;Phenylhydrazine-d5 Hydrochloride (Major);Hydrazine,phenyl-d5-(9ci);(~2~H_5_)Phenylhydrazine;DTXSID40514631

Chemical Property of (2,3,4,5,6-Pentadeuteriophenyl)hydrazine

Chemical Property:

• Vapor Pressure: 0.033mmHg at 25°C
• Boiling Point: 243°C at 760 mmHg
• Flash Point: 115.445°C
• PSA: 38.05000
• Density: 1.178g/cm³
• LogP: 1.74550
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 113.100131993
• Heavy Atom Count: 8
• Complexity: 57.5

Purity/Quality:

97% ^*data from raw suppliers

Phenylhydrazine-d5Hydrochloride(Major) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NN
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])NN)[2H])[2H]
• Uses: As a labelled hydrazine derivative, Phenyl-d5-hydrazine Hydrochloride can be used in the synthesis of Verdazyl.

Technology Process of (2,3,4,5,6-Pentadeuteriophenyl)hydrazine

There total 3 articles about (2,3,4,5,6-Pentadeuteriophenyl)hydrazine 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:

aniline-d5 (4165-61-1) → phenylhydrazine-d5 hydrochloride (125687-18-5)

Guidance literature:

aniline-d5; With hydrogenchloride; In water; at 20 ℃;

With sodium nitrite; In water; at 0 - 5 ℃; for 1.16667h;

With hydrogenchloride; tin(II) chloride dihdyrate; In water; at 0 - 5 ℃;

DOI:10.1016/j.ab.2011.07.006

Reference yield:

nitrobenzene-d5 (4165-60-0) → phenylhydrazine-d5 hydrochloride (125687-18-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 760.05 Torr / Inert atmosphere

2.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 5 °C / Cooling with ice

2.2: 2 h / 0 - 20 °C

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; sodium nitrite; In methanol; water;

DOI:10.1002/adsc.201400224

Reference yield:

benzene-d6 (1076-43-3) → phenylhydrazine-d5 hydrochloride (125687-18-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: nitric acid; sulfuric acid / 0.25 h / 20 °C / Cooling with ice

2.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C / 760.05 Torr / Inert atmosphere

3.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 5 °C / Cooling with ice

3.2: 2 h / 0 - 20 °C

With hydrogenchloride; sulfuric acid; palladium 10% on activated carbon; hydrogen; nitric acid; sodium nitrite; In methanol; water;

DOI:10.1002/adsc.201400224

upstream raw materials:

aniline-d5

nitrobenzene-d5

benzene-d6

Downstream raw materials:

5>Phenylhydrazin

1-(d5-phenyl)-3-methyl-1H-pyrazol-5(4H)-one

ethyl (E)-3-(2-aminophenyl)acrylate

C₂₁H₁₈⁽²⁾H₄ClNO₂