4,5-Dichloro-2-nitroaniline

Base Information

• Chemical Name: 4,5-Dichloro-2-nitroaniline
• CAS No.: 6641-64-1
• Molecular Formula: C6H4Cl2N2O2
• Molecular Weight: 207.016
• Hs Code.: 29214200
• European Community (EC) Number: 229-657-3
• NSC Number: 17012
• UNII: 3I0G2ADU1L
• DSSTox Substance ID: DTXSID0073376
• Nikkaji Number: J81.261G
• Wikidata: Q27257235
• ChEMBL ID: CHEMBL4451591
• Mol file: 6641-64-1.mol

Synonyms:4,5-Dichloro-2-nitroaniline;6641-64-1;3,4-Dichloro-6-nitroaniline;Benzenamine, 4,5-dichloro-2-nitro-;2-nitro-4,5-dichloroaniline;MFCD00007770;UNII-3I0G2ADU1L;3I0G2ADU1L;4.5-Dichloro-2-nitroaniline;EINECS 229-657-3;NSC-17012;1-Amino-4,5-dichloro-2-nitrobenzene;4,5-DICHLORO-2-NITROBENZENAMINE;4,5-dichloro-2-nitro-aniline;NSC17012;SCHEMBL1193334;SCHEMBL9939970;CHEMBL4451591;DTXSID0073376;4,5-dichloro-2-nitro-phenylamine;NSC 17012;4,5-Dichloro-2-nitroaniline, 96%;AKOS000425466;AC-2969;CS-W015295;PS-5761;SB78421;ANILINE, 4,5-DICHLORO-2-NITRO-;SY003445;AM20060383;D4041;FT-0614218;EN300-119050;A1-08017;W-104751;Q27257235

Chemical Property of 4,5-Dichloro-2-nitroaniline

Chemical Property:

• Appearance/Colour: light yellow solid powder
• Vapor Pressure: 5.51E-05mmHg at 25°C
• Melting Point: 180-181 ºC
• Refractive Index: 1.655
• Boiling Point: 347.1 °C at 760 mmHg
• PKA: -2.24±0.25(Predicted)
• Flash Point: 163.7 °C
• PSA: 71.84000
• Density: 1.624 g/cm³
• LogP: 3.58820
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: 60.3mg/L at 25℃
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 205.9649828
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N

Technology Process of 4,5-Dichloro-2-nitroaniline

There total 11 articles about 4,5-Dichloro-2-nitroaniline 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: 75.0%

3,4-dichloronitrobenzene (99-54-7) → 2,3-dichloro-6-nitroaniline (65078-77-5) + 4,5-dichloro-2-nitroaniline (6641-64-1)

Guidance literature:

With O-Methylhydroxylamin; potassium tert-butylate; copper diacetate; In monoethylene glycol diethyl ether; at 20 ℃; for 2h;

DOI:10.1039/a901537j

Reference yield: 48.3%

2,4,5-Trichloronitrobenzene (89-69-0) → 4,5-dichloro-2-nitroaniline (6641-64-1)

Guidance literature:

With ammonia; In water; isopropyl alcohol; at 120 ℃; for 6h;

Reference yield:

N-(4,5-dichloro-2-nitrophenyl)acetamide (5462-30-6) → 4,5-dichloro-2-nitroaniline (6641-64-1)

Guidance literature:

With sulfuric acid; at 120 ℃;

upstream raw materials:

2,4,5-Trichloronitrobenzene

1,2-dichloro-4,5-dinitrobenzene

N-(4,5-dichloro-2-nitrophenyl)acetamide

3,4-dichloronitrobenzene

Downstream raw materials:

4,5-Dichloro-1,2-phenylenediamine

3,4-dichloronitrobenzene

Cyclopropanecarboxylic acid (4,5-dichloro-2-nitro-phenyl)-amide

4-Chlor-2-nitro-5-phenylthio-anilin

Refernces

• 1、 Monge, Antonio,Palop, Juan A.,Cerain, Adela Lopez de,Senador, Virginia,Martinez-Crespo, Francisko J.,et al.. "Hypoxia-Selective Agents Derived from Quinoxaline 1,4-Di-N-oxides". . p. 1786 - 1792. Retrieved 2007/10/02.
• 2、 -. "Process for the production of 2-aryl-2H-benzotriazoles". . . Retrieved 2008/06/13.