Benzenamine, 3-chloro-, hydrochloride

Base Information

• Chemical Name: Benzenamine, 3-chloro-, hydrochloride
• CAS No.: 141-85-5
• Molecular Formula: C6H6 Cl N . Cl H
• Molecular Weight: 164.034
• Hs Code.: 2921420090
• Mol file: 141-85-5.mol

Synonyms:

Chemical Property of Benzenamine, 3-chloro-, hydrochloride

Chemical Property:

• Melting Point: 222°C (dec.)
• Boiling Point: 227.8°Cat760mmHg
• Flash Point: 123.9°C
• PSA: 26.02000
• Density: g/cm³
• LogP: 3.30540
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.9955546
• Heavy Atom Count: 9
• Complexity: 74.9

Purity/Quality:

98% ^*data from raw suppliers

3-Chloroaniline Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.; R33:Danger of cummulative effects.; R50/53:
• Hazard Codes: T:Toxic;;
• Statements: 23/24/25-33-50/53
• Safety Statements: 28-36/37-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)[NH3+].[Cl-]

Technology Process of Benzenamine, 3-chloro-, hydrochloride

There total 21 articles about Benzenamine, 3-chloro-, 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: 95.0%

3-Nitrochlorobenzene (121-73-3) → 3-chloroaniline hydrochloride (141-85-5)

Guidance literature:

3-Nitrochlorobenzene; With hydrogen; C₁₉H₁₂N₄^(2-)*C₂H₆OS*Co⁽²⁺⁾; In ethanol; at 120 ℃; for 15h; under 30003 Torr; Autoclave;

With hydrogenchloride; In diethyl ether; dichloromethane;

DOI:10.1002/ejoc.202100073

Reference yield:

3-chloro-aniline (108-42-9) → 2-amino-4-chlorophenyl disulfide (29124-55-8) + 4,4'-dichloro-2,2'-sulfanediyl-di-aniline + 3-chloroaniline hydrochloride (141-85-5)

Guidance literature:

at 180 - 200 ℃;

Reference yield:

3-chloro-aniline (108-42-9) → 2,4-dinitro-3'-chloro diphenylamine (16220-58-9) + 3-chloroaniline hydrochloride (141-85-5)

Guidance literature:

With 1-chloro-2,4-dinitro-benzene; In 1,4-dioxane; water; at 45 ℃; for 0.5h;

upstream raw materials:

m-Chlorobenzoyl chloride

3-chloro-aniline

benzoyl chloride

4-methoxy-benzoyl chloride

Downstream raw materials:

2-methyl-7-chloroquinoline

7-chloro-4-methyl-quinoline

3?((3?chlorophenyl)amino)propanenitrile

N-(3-chlorophenyl)-1,2-diaminoethane

Refernces

• 1、 Desai, Salil Dileep,Kirsch, Lee E.. "The ortho effect on the acidic and alkaline hydrolysis of substituted formanilides". . p. 471 - 488. Retrieved 2015/06/30.
• 2、 Ul Hoque, Md. Ehtesham,Lee, Hai Whang. "Kinetics and mechanism of the anilinolysis of dicyclohexyl phosphinic chloride in acetonitrile". experimental part. p. 1997 - 2002. Retrieved 2012/02/01.