4-Chloro-M-phenylenediamine

Base Information

• Chemical Name: 4-Chloro-M-phenylenediamine
• CAS No.: 5131-60-2
• Molecular Formula: C6H7ClN2
• Molecular Weight: 142.588
• Hs Code.: 29215900
• European Community (EC) Number: 225-877-9
• NSC Number: 6074
• UN Number: 1673
• UNII: 46M6FQ5PJK
• DSSTox Substance ID: DTXSID0020282
• Nikkaji Number: J8.814E
• Wikidata: Q26840993
• ChEMBL ID: CHEMBL564253
• Mol file: 5131-60-2.mol

Synonyms:4-chloro-1,3-phenylenediamine;4-chloro-3-phenylenediamine;4-chloro-3-phenylenediamine sulfate;4-chloro-m-phenylenediamine

Chemical Property of 4-Chloro-M-phenylenediamine

Chemical Property:

• Appearance/Colour: Gray powder or dark purple solid
• Vapor Pressure: 0.00126mmHg at 25°C
• Melting Point: 87-90°C(lit.)
• Refractive Index: 1.67
• Boiling Point: 298.6 °C at 760 mmHg
• PKA: 3.95±0.10(Predicted)
• Flash Point: 134.4 °C
• PSA: 52.04000
• Density: 1.346 g/cm³
• LogP: 2.66680
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: <0.1 g/100 mL at 19℃
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.0297759
• Heavy Atom Count: 9
• Complexity: 97.1
• Transport DOT Label: Poison

Purity/Quality:

98%, ^*data from raw suppliers

4-Chloro-1,3-phenylenediamine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=CC(=C(C=C1N)N)Cl
• Uses: This compound has uses in dye production and in rubber processing. 4-Chloro-1,3-diaminobenzene has been used to study the mutagenic effect of phenylenediamines hair chemicals on Salmonella typhimurium TA 102.

Technology Process of 4-Chloro-M-phenylenediamine

There total 11 articles about 4-Chloro-M-phenylenediamine 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: 100.0%

1-chloro-2,4-dinitro-benzene (97-00-7) → 4-chloro-1,3-phenylenediamine (5131-60-2)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; at 20 ℃;

Reference yield: 99.0%

H2NC6H3(Cl)NO2 (6283-25-6) → 4-chloro-1,3-phenylenediamine (5131-60-2)

Guidance literature:

With hydrogen; In hexane; at 25 ℃; for 24h; Sealed tube; Autoclave;

DOI:10.1002/chem.201803274

Reference yield: 95.0%

4-Chloro-3-nitroaniline (635-22-3) → 4-chloro-1,3-phenylenediamine (5131-60-2)

Guidance literature:

With sodium tetrahydroborate; In water; at 20 ℃; for 0.0333333h; Catalytic behavior;

DOI:10.1039/c5ra02349a

upstream raw materials:

5-chloro-2,4-dinitrobenzoic acid

1-chloro-2,4-dinitro-benzene

1-azido-3-nitro-4-chlorobenzene

acetic anhydride

Downstream raw materials:

2,4-diisocyanato-1-chlorobenzene

4-Chlororesorcinol

4-chloro-6-iodo-m-phenylenediamine

1,2,4-Trichlorobenzene

Refernces

• 1、 Gholinejad, Mohammad,Naghshbandi, Zhwan,Sansano, José M.. "Co/Cu bimetallic ZIF as New heterogeneous catalyst for reduction of nitroarenes and dyes". . . Retrieved 2020.
• 2、 Kiani, Zahra,Zhiani, Rahele,Khosroyar, Susan,Motavalizadehkakhky, Alireza,Hosseiny, Malihesadat. "UiO-66/btb/Pd as a stable catalyst reduction of 4-nitrophenol into 4-aminophenol". . . Retrieved 2020/12/21.
• 3、 Zhao, Lixing,Hu, Chenyang,Cong, Xuefeng,Deng, Gongda,Liu, Liu Leo,Luo, Meiming,Zeng, Xiaoming. "Cyclic (Alkyl)(amino)carbene Ligand-Promoted Nitro Deoxygenative Hydroboration with Chromium Catalysis: Scope, Mechanism, and Applications". supporting information. p. 1618 - 1629. Retrieved 2021/01/25.