(2-Chloroanilino)azanium;chloride

Base Information

• Chemical Name: (2-Chloroanilino)azanium;chloride
• CAS No.: 41052-75-9
• Molecular Formula: C6H7ClN2^.HCl
• Molecular Weight: 179.049
• Hs Code.: 29280090
• Mol file: 41052-75-9.mol

Synonyms:AKOS023093317

Chemical Property of (2-Chloroanilino)azanium;chloride

Chemical Property:

• Appearance/Colour: white to slightly yellow crystalline needles or chunks
• Vapor Pressure: 0.0197mmHg at 25°C
• Melting Point: 200-203 °C (dec.)(lit.)
• Boiling Point: 252.1 °C at 760 mmHg
• Flash Point: 106.2 °C
• PSA: 38.05000
• Density: 1.32g/cm3
• LogP: 3.20090
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• Water Solubility.: SOLUBLE
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.0064537
• Heavy Atom Count: 10
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

2-Chlorophenylhydrazine HCL ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N, Xi
• Hazard Codes: Xn,N,Xi
• Statements: 20/21/22-50-50/53-36/37/38
• Safety Statements: 36/37-61-36/37/39-29-26-22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N[NH3+])Cl.[Cl-]
• Uses: 2-Chlorophenylhydrazine hydrochloride is used to study intrinsic resistance of Mycobacterium smegmatis to fluoroquinolones, used for treatment of Mycobacterium tuberculosis. It may be used in pyrazoline synthesis. It can be used to produce N-azepan-2-ylidene-N'-(2-chloro-phenyl)-hydrazine with 7-methoxy-3,4,5,6-tetrahydro-2H-azepine at heating. 2-Chlorophenylhydrazine hydrochloride was used to study intrinsic resistance of Mycobacterium smegmatis to fluoroquinolones, used for treatment of Mycobacterium tuberculosis. It may be used in pyrazoline synthesis.

Technology Process of (2-Chloroanilino)azanium;chloride

There total 3 articles about (2-Chloroanilino)azanium;chloride 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: 94.5%

→ 2-chlorophenylhydrazine hydrochloride hydrate + o-chlorophenylhydrazine hydrochloride (41052-75-9)

Guidance literature:

Reference yield:

o-chloroaniline (95-51-2) → o-chlorophenylhydrazine hydrochloride (41052-75-9)

Guidance literature:

o-chloroaniline; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃;

With hydrogenchloride; tin(ll) chloride; In water; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2010.07.038

Reference yield:

chlorobenzene (108-90-7) → 4-chlorophenylhydrazine hydrochloride (1073-70-7) + o-chlorophenylhydrazine hydrochloride (41052-75-9)

Guidance literature:

chlorobenzene; With sulfuric acid; nitric acid; at 25 ℃; for 1h;

With 3 % platinum on carbon; hydrogen; In methanol; at 25 ℃; under 5250.53 Torr; Reagent/catalyst; Overall yield = 120 g; Further stages; Inert atmosphere;

upstream raw materials:

o-chloroaniline

chlorobenzene

Downstream raw materials:

C₁₄H₁₉ClN₂O

3-{1-[(2-Chloro-phenyl)-hydrazono]-ethyl}-4-hydroxy-chromen-2-one

5-[4-(tert-butyl-diphenyl-silanyloxy)-phenyl]-1-(2-chloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid ethyl ester

1-(2-chloro-phenyl)-1,4-dihydro-indeno[1,2-c]pyrazole-3-carboxylic acid ethyl ester

Refernces

• 1、 -. "Substituted indole urea derivative, synthetic method and application thereof". Paragraph 0072; 0102-0104. . Retrieved 2021/08/14.
• 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.