2,4,5-Trichloronitrobenzene

Base Information

• Chemical Name: 2,4,5-Trichloronitrobenzene
• CAS No.: 89-69-0
• Molecular Formula: C6H2Cl3NO2
• Molecular Weight: 226.446
• Hs Code.: 29392900
• European Community (EC) Number: 201-931-7
• NSC Number: 60975,56980,50660
• UN Number: 2811
• UNII: 0YFY8PZD2M
• DSSTox Substance ID: DTXSID5026203
• Nikkaji Number: J2.838J
• Wikidata: Q27237347
• ChEMBL ID: CHEMBL1323107
• Mol file: 89-69-0.mol

Synonyms:2,4,5-TRICHLORONITROBENZENE;1,2,4-Trichloro-5-nitrobenzene;89-69-0;Benzene, 1,2,4-trichloro-5-nitro-;1-Nitro-2,4,5-trichlorobenzene;5-Nitro-1,2,4-trichlorobenzene;3,4,6-Trichloronitrobenzene;2,4,5-trichloro-1-nitrobenzene;C6H2Cl3NO2;EINECS 201-931-7;NSC 50660;0YFY8PZD2M;BRN 1959066;DTXSID5026203;1,4,5-Trichloro-2-nitrobenzene;NSC-50660;NSC-56980;NSC-60975;2,5-Trichloronitrobenzene;WLN: WNR BG DG EG;1,4-Trichloro-5-nitrobenzene;Benzene,2,4-trichloro-5-nitro-;NSC60975;UNII-0YFY8PZD2M;MLS002152857;2,4,5-trichloronitro-benzene;DTXCID206203;SCHEMBL1626066;5-nitro-1,2,4-trichlorbenzen;CHEMBL1323107;HMS3039M11;NSC50660;NSC56980;Tox21_200937;MFCD00007072;AKOS005149655;LS-1898;CAS-89-69-0;TRICHLORONITROBENZENE, 2,4,5-;1,2,4-tris(chloranyl)-5-nitro-benzene;NCGC00090855-01;NCGC00090855-02;NCGC00258491-01;AC-23991;PS-10355;SMR001224481;CS-0204672;FT-0609792;T0387;1,2,4-Trichloro-5-nitrobenzene, AldrichCPR;E78965;EN300-100818;A843281;W-100364;Q27237347

Chemical Property of 2,4,5-Trichloronitrobenzene

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00351mmHg at 25°C
• Melting Point: 52-57 °C
• Refractive Index: 1.609
• Boiling Point: 290.9 °C at 760 mmHg
• Flash Point: 129.7 °C
• PSA: 45.82000
• Density: 1.651 g/cm³
• LogP: 4.07820
• Storage Temp.: 2-8°C
• Water Solubility.: 27 mg/L (20 ºC)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 224.915111
• Heavy Atom Count: 12
• Complexity: 184
• Transport DOT Label: Poison

Purity/Quality:

98%, ^*data from raw suppliers

2,4,5-Trichloronitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: N-Xn,N,Xn
• Statements: 50/53-20/21/22
• Safety Statements: 61-60-36/37-28-25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aromatic
• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)[N+](=O)[O-]
• Uses: 2,4,5-Trichloronitrobenzene, is one of the by-products of Lindane (L465990) production, that can be used for agricultural crop protection. It is also used as an intermediate for the synthesis of various chemical compounds, such as a new class of 1H-benzimidazolecarboxamidines, acting as antibacterial and antifungal agents.

Technology Process of 2,4,5-Trichloronitrobenzene

There total 18 articles about 2,4,5-Trichloronitrobenzene 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%

2,4-dichloronitrobenzene (611-06-3) → 2,4,5-Trichloronitrobenzene (89-69-0)

Guidance literature:

With N-chloro-succinimide; acetic acid; at 8 ℃; Large scale;

Reference yield: 96.0%

1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 2,4,5-Trichloronitrobenzene (89-69-0)

Guidance literature:

1,2,4-Trichlorobenzene; With sulfuric acid; potassium nitrate; at 0 - 50 ℃; for 3h;

With sodium hydroxide; In water; at 0 ℃;

DOI:10.1039/c6ob01170e

Reference yield:

2,4-dichloronitrobenzene (611-06-3) → 2,4,5-Trichloronitrobenzene (89-69-0) + 2,3,4,5-tetrachloronitrobenzene (879-39-0)

Guidance literature:

bei der Chlorierung;

upstream raw materials:

2,4-dichloronitrobenzene

3,4-dichloronitrobenzene

2,5-dichloro-4-nitroaniline

5-chloro-2,4-dinitroaniline

Downstream raw materials:

1-(4,5-dichloro-2-nitro-phenyl)-piperidine

1,5-diethoxy-2-chloro-4-nitro-benzene

1-chloro-5-nitro-2,4-diphenoxy-benzene

1,4-dichloro-2-methoxy-5-nitrobenzene

Refernces

• 1、 -. "METHODS USING HDAC11 INHIBITORS". Paragraph 0553-0554. . Retrieved 2018/05/16.
• 2、 Lone, Shabir H.,Bhat, Khursheed A.,Majeed, Rabiya,Hamid, Abid,Khuroo, Mohd A.. "Click chemistry inspired facile synthesis and bioevaluation of novel triazolyl analogs of Ludartin". . p. 1047 - 1051. Retrieved 2014/03/21.