4-Cyanophenylhydrazine hydrochloride

Base Information

• Chemical Name: 4-Cyanophenylhydrazine hydrochloride
• CAS No.: 2863-98-1
• Molecular Formula: C7H8ClN3
• Molecular Weight: 169.614
• Hs Code.: 29280000
• European Community (EC) Number: 608-230-9
• DSSTox Substance ID: DTXSID90583751
• Mol file: 2863-98-1.mol

Synonyms:4-Cyanophenylhydrazine hydrochloride;2863-98-1;4-Hydrazinylbenzonitrile hydrochloride;4-Cyanophenylhydrazine HCl;4-Hydrazinobenzonitrile hydrochloride;4-Cyanophenylhydrazine, HCl;4-hydrazinylbenzonitrile;hydrochloride;Benzonitrile, 4-hydrazinyl-, hydrochloride (1:1);MFCD00673994;4-Cyanophenylhydrazine (hydrochloride);Benzonitrile, 4-hydrazino-, monohydrochloride;4-cyanophenylhydrazine-hcl;SCHEMBL541642;DTXSID90583751;UXDLLFIRCVPPQP-UHFFFAOYSA-N;BCP27837;4-Hydrazinylbenzonitrilehydrochloride;4-cyanophenyl hydrazine hydrochloride;4-Cyanophenylhydrazine. Hydrochloride;4-Hydrazino-benzonitrile hydrochloride;AKOS001476450;AB06913;CS-W009104;DS-1110;AC-25892;BP-20156;HY-41677;SY008502;4-Cyanophenylhydrazine hydrochloride, 97%;A5413;AM20061159;H1425;EN300-40179;N'-(4-Cyanophenyl)-hydrazinium hydrochloride;(4-cyanophenyl)-hydrazine hydrochloric acid salt;4-Hydrazinylbenzonitrile--hydrogen chloride (1/1);A1-00297;J-017171

Chemical Property of 4-Cyanophenylhydrazine hydrochloride

Chemical Property:

• Appearance/Colour: Pale orange to brown powder
• Vapor Pressure: 0.000223mmHg at 25°C
• Melting Point: 241-244 °C (dec.)(lit.)
• Boiling Point: 325.9 °C at 760 mmHg
• Flash Point: 150.9 °C
• PSA: 61.84000
• Density: 1.19g/cm3
• LogP: 2.41918
• Storage Temp.: Refrigerator
• Sensitive.: Moisture Sensitive
• Solubility.: Soluble in methanol.
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 169.0406750
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

4-Cyanophenylhydrazine HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)NN.Cl
• Uses: 4-Cyanophenylhydrazine Hydrochloride (cas# 2863-98-1) is a compound useful in organic synthesis.

Technology Process of 4-Cyanophenylhydrazine hydrochloride

There total 7 articles about 4-Cyanophenylhydrazine hydrochloride 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: 91.0%

4-Aminobenzonitrile (873-74-5) → 4-hydrazinobenzonitrile hydrochloride (2863-98-1)

Guidance literature:

4-Aminobenzonitrile; With hydrogenchloride; sodium nitrite; In water; acetic acid; at 0 ℃; for 0.833333h;

With hydrogenchloride; tin(II) chloride dihdyrate; In water; acetic acid; at 0 - 20 ℃; for 1.33333h;

DOI:10.1021/jacs.6b05080

Reference yield: 83.0%

4-bromobenzenecarbonitrile (623-00-7) → 4-hydrazinobenzonitrile hydrochloride (2863-98-1)

Guidance literature:

4-bromobenzenecarbonitrile; With nickel(II) bromide trihydrate; t-butoxycarbonylhydrazine; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 120 ℃; for 0.166667h; Irradiation; Flow reactor;

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1039/d0cc06787c

Reference yield: 68.0%

4-iodobenzonitrile (3058-39-7) → 4-hydrazinobenzonitrile hydrochloride (2863-98-1)

Guidance literature:

4-iodobenzonitrile; With potassium phosphate; copper(l) iodide; N,N′-bis(2,6-dimethylphenyl)oxalamide; cetyltrimethylammonim bromide; In water; at 80 ℃; for 0.25h; Schlenk technique; Inert atmosphere; Sealed tube;

With hydrazine hydrate; In water; at 80 ℃; Inert atmosphere; Schlenk technique; Sealed tube;

With hydrogenchloride; In water; pH=3 - 4; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1002/cjoc.201800326

upstream raw materials:

4-Aminobenzonitrile

4-amino-3-iodobenzonitrile

4-iodobenzonitrile

p-cyanobenzenediazonium chloride

Downstream raw materials:

3-(2-aminoethyl)-5-cyano-1H-indole hydrochloride

(+/-)-6-cyano-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid methyl-phenyl-amide

4-[2-(2-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]azepin-5-ylidene)hydrazino]benzonitrile

4-[2-(2-bromo-6-oxo-5,6,7,8-tetrahydro-9H-pyrido[3,2-b]azepine-9-ylidene)hydrazino]benzonitrile

Refernces

• 1、 Mata, Alejandro,Tran, Duc N.,Weigl, Ulrich,Williams, Jason D.,Kappe, C. Oliver. "Continuous flow synthesis of arylhydrazines: via nickel/photoredox coupling of tert -butyl carbazate with aryl halides". supporting information. p. 14621 - 14624. Retrieved 2020/12/02.
• 2、 Jin, Xiao-Yan,Zhang, Kang-Ping,Chen, Hao,Miao, Ting-Ting,Wang, Shi-Fa,Gu, Wen. "Synthesis, in vitro Antimicrobial, and Cytotoxic Activities of New 1,3,4-Oxadiazin-5(6H)-one Derivatives from Dehydroabietic Acid". . p. 538 - 547. Retrieved 2018/06/11.