2,5-Dichlorobenzene-1,4-diamine

Base Information

• Chemical Name: 2,5-Dichlorobenzene-1,4-diamine
• CAS No.: 20103-09-7
• Molecular Formula: C6H6Cl2N2
• Molecular Weight: 177.033
• Hs Code.: 29215900
• European Community (EC) Number: 243-512-1
• UNII: 9CCW77BAXP
• DSSTox Substance ID: DTXSID8066557
• Nikkaji Number: J50.196D
• Wikidata: Q27272358
• ChEMBL ID: CHEMBL1450518
• Mol file: 20103-09-7.mol

Synonyms:2,5-dichloro-1,4-phenylenediamine

Chemical Property of 2,5-Dichlorobenzene-1,4-diamine

Chemical Property:

• Appearance/Colour: light brown to pinkish-grey powder
• Vapor Pressure: 0.000916mmHg at 25°C
• Melting Point: 164-166 °C (dec.)(lit.)
• Refractive Index: 1.679
• Boiling Point: 303.7 °C at 760 mmHg
• PKA: 3.16±0.10(Predicted)
• Flash Point: 137.5 °C
• PSA: 52.04000
• Density: 1.501 g/cm³
• LogP: 3.32020
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 175.9908036
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

98%, ^*data from raw suppliers

2,5-Dichloro-1,4-phenylenediamine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=C(C(=CC(=C1Cl)N)Cl)N

Technology Process of 2,5-Dichlorobenzene-1,4-diamine

There total 12 articles about 2,5-Dichlorobenzene-1,4-diamine 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: 96.0%

2,5-dichloro-4-nitroaniline (6627-34-5) + [1,4]naphthoquinone (130-15-4) → 2,5-dichloro-1,4-phenylenediamine (20103-09-7)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; In water;

Reference yield:

4-nitroso-N,N-dimethylaniline hydrochloride (42344-05-8) → 2,5-dichloro-1,4-phenylenediamine (20103-09-7) + 4-amino-N,N-dimethylaniline (99-98-9)

Guidance literature:

With hydrogenchloride; at 100 - 105 ℃;

Reference yield:

N,N'-dichloro-N,N'-p-phenylene-bis-acetamide (854780-20-4) → 2,5-dichloro-1,4-phenylenediamine (20103-09-7)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid

2: Hydrolysis

With acetic acid;

upstream raw materials:

1,4-dichloro-2,5-dinitrobenzene

2,5-dichloro-4-nitroaniline

N,N'-diacetyl-2,5-dichloro-1,4-phenylenediamine

4-nitroso-N,N-dimethylaniline hydrochloride

Downstream raw materials:

2,5-dichloro-p-phenylene diisocyanate

1,2,4,5-tetrachlorobenzene

2,5-Dichloro-1,4-benzoquinone

N,N'-diacetyl-2,5-dichloro-1,4-phenylenediamine