2-Chloro-6-nitrotoluene

Base Information

• Chemical Name: 2-Chloro-6-nitrotoluene
• CAS No.: 83-42-1
• Molecular Formula: C7H6ClNO2
• Molecular Weight: 171.583
• Hs Code.: 29039990
• European Community (EC) Number: 201-475-9
• NSC Number: 49147
• UNII: WEZ013857X
• DSSTox Substance ID: DTXSID1041263
• Nikkaji Number: J48.885B
• Wikidata: Q27292597
• ChEMBL ID: CHEMBL3182075
• Mol file: 83-42-1.mol

Synonyms:2-CHLORO-6-NITROTOLUENE;83-42-1;1-Chloro-2-methyl-3-nitrobenzene;6-Chloro-2-nitrotoluene;Benzene, 1-chloro-2-methyl-3-nitro-;3-Chloro-2-methylnitrobenzene;Toluene, 2-chloro-6-nitro-;Caswell No. 202;6,2-Chloronitrotoluene;EINECS 201-475-9;NSC 49147;2-chloro-6-nitro-toluene;EPA Pesticide Chemical Code 019001;BRN 1239924;UNII-WEZ013857X;AI3-00485;DTXSID1041263;WEZ013857X;NSC-49147;EC 201-475-9;3-chloro-2-methyl-1-nitrobenzene;NSC49147;2-chlor-6-nitrotoluen;2-chloro-6-nitro toluene;SCHEMBL700473;CHEMBL3182075;DTXCID9021263;2-Chloro-6-nitrotoluene, 99%;CHEBI:142281;CHLORO-6-NITROTOLUENE, 2-;Tox21_300660;MFCD00007205;STL453546;2-METHYL-3-CHLORONITROBENZENE;2-METHYL-3-NITROCHLOROBENZENE;AKOS009031519;AKOS040744564;CS-W017644;CAS-83-42-1;NCGC00248131-01;NCGC00254568-01;AC-11283;LS-154035;AM20080939;FT-0611891;EN300-20451;A840572;AE-562/40225990;Q27292597;F8889-5202;Z104478244

Chemical Property of 2-Chloro-6-nitrotoluene

Chemical Property:

• Appearance/Colour: yellow to light brown crystalline mass
• Vapor Pressure: 2-770Pa at 20-100℃
• Melting Point: 34-36 °C(lit.)
• Refractive Index: 1.5377 (estimate)
• Boiling Point: 236.1 °C at 760 mmHg
• Flash Point: 125 °C
• PSA: 45.82000
• Density: 1.324 g/cm³
• LogP: 3.07980
• Storage Temp.: Store below +30°C.
• Solubility.: 0.092g/l
• Water Solubility.: 92 mg/L (20 ºC)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 171.0087061
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-6-nitrotoluene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn,N
• Hazard Codes: Xn,Xi,N
• Statements: 22-36/37/38-20/21/22-52/53
• Safety Statements: 36/37/39-26-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC=C1Cl)[N+](=O)[O-]

Technology Process of 2-Chloro-6-nitrotoluene

There total 10 articles about 2-Chloro-6-nitrotoluene 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:

2-methylchlorobenzene (95-49-8) → 6-chloro-2-nitrotoluene (83-42-1) + 1-chloro-2-methyl-4-nitrobenzene (13290-74-9)

Guidance literature:

With nitric acid; at 0 ℃;

Reference yield:

2-methylchlorobenzene (95-49-8) + nitric acid (7697-37-2,78989-43-2) → 6-chloro-2-nitrotoluene (83-42-1) + 2-chloro-4-nitrotoluene (121-86-8) + 1-chloro-2-methyl-4-nitrobenzene (13290-74-9) + 2-chloro-3-nitrotoluene (3970-40-9)

Guidance literature:

at 0 ℃; Product distribution;

Reference yield:

1-methyl-2-nitrobenzene (88-72-2) → 6-chloro-2-nitrotoluene (83-42-1) + 4-chloro-2-nitrotoluene (89-59-8)

Guidance literature:

With antimonypentachloride; durch Chlorierung;

upstream raw materials:

2-methylchlorobenzene

1-methyl-2-nitrobenzene

3-nitro-o-tolylamine

antimonypentachloride

Downstream raw materials:

2-chloro-6-nitrobenzyl bromide

1-chloro-2-methyl-3,5-dinitrobenzene

6-chloro-2,3-dinitro-toluene

2-Methyl-3-chlor-benzochinon-(1,4)

Refernces