1,2-Dimethyl-3-nitrobenzene

Base Information

• Chemical Name: 1,2-Dimethyl-3-nitrobenzene
• CAS No.: 83-41-0
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: H3)2C6H3NO2 MOL WT. 151.16
• European Community (EC) Number: 201-474-3,246-697-7
• NSC Number: 5402
• UN Number: 1665
• UNII: 49GNX4CY5W
• DSSTox Substance ID: DTXSID7025132
• Nikkaji Number: J95.094G
• Wikidata: Q27259283
• ChEMBL ID: CHEMBL1596825
• Mol file: 83-41-0.mol

Synonyms:3-Nitro-o-xylene;1,2-DIMETHYL-3-NITROBENZENE;83-41-0;2,3-Dimethylnitrobenzene;Nitroxylene;o-Xylene, 3-nitro-;Benzene, 1,2-dimethyl-3-nitro-;Xylene, ar-nitro-;Benzene, dimethylnitro-;25168-04-1;ar-Nitroxylene;CCRIS 3117;NSC 5402;EINECS 201-474-3;UNII-49GNX4CY5W;49GNX4CY5W;AI3-29558;DTXSID7025132;HSDB 8023;Dimethyl-3-nitrobenzene, 1,2-;NSC-5402;EINECS 246-697-7;DTXCID405132;CAS-83-41-0;mononitroxylene;2,3-dimethyl-1-nitrobenzene;3-nitro-o-xylen;3-nitro-o-xylol;NSC5402;3-nitro o-xylene;MFCD00007162;3-Nitro-ortho-xylene;2-methyl-3-nitrotoluene;2,3-Dimethyl nitro benzene;Benzene,2-dimethyl-3-nitro-;SCHEMBL700469;CHEMBL1596825;SCHEMBL16791684;Nitroxylenes, (m-, o-, p-);Tox21_202000;Tox21_300334;NA1665;STL581793;UN1665;1,2-Dimethyl-3-nitrobenzene, 97%;AKOS000119945;AM10671;LS-1825;2,3-DIMETHYLNITROBENZENE [HSDB];NCGC00091139-01;NCGC00091139-02;NCGC00091139-03;NCGC00091139-04;NCGC00254235-01;NCGC00259549-01;AC-10901;PS-10608;LS-185715;D1076;FT-0616255;EN300-19522;D89776;J-503832;Q27259283;Z104474110;1,2-Dimethyl-3-nitrobenzene, Selectophore(TM), >=99.0%

Chemical Property of 1,2-Dimethyl-3-nitrobenzene

Chemical Property:

• Appearance/Colour: Yellow liquid
• Melting Point: 7-9 °C(lit.)
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 243.3 °C at 760 mmHg
• Flash Point: 107.8 °C
• PSA: 45.82000
• Density: 1.129 g/cm³
• LogP: 2.73480
• Storage Temp.: Store below +30°C.
• Solubility.: 117mg/l
• Water Solubility.: 117 mg/L (25 ºC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 153
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

3-Nitro-o-xylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: N,T
• Statements: 51/53-36/37/38-23/24/25-20/21
• Safety Statements: 61-45-36/37/39-26-13-36/37-23-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C
• Uses: 3-Nitro-o-xylene is a useful benzene-derived building block, and has aquatic toxicity properties. 1,2-Dimethyl-3-nitrobenzene (3-Nitro-o-xylene) was used to prepare 2-methyl-3-nitrobenzylidene diacetate. It was also used to dissolve sodium-selective ligand.

Technology Process of 1,2-Dimethyl-3-nitrobenzene

There total 23 articles about 1,2-Dimethyl-3-nitrobenzene 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: 90.7%

o-xylene (95-47-6) → 2,3-dimethylnitrobenzene (83-41-0)

Guidance literature:

With sulfuric acid; nitric acid; at 10 - 65 ℃; for 5h; Temperature;

Reference yield: 48.6%

o-xylene (95-47-6) → 4-nitro-o-xylene (99-51-4,34527-23-6,156617-88-8) + 2,3-dimethylnitrobenzene (83-41-0)

Guidance literature:

With nitric acid; acetic anhydride; In tetrachloromethane;

DOI:10.1002/cplu.201300001

Reference yield:

2,3-dimethylnitrobenzene (83-41-0) + Naphthalene-1-carbaldehyde → 1-naphthaldehyde (66-77-3) + 2,3-dimethylnitrobenzene anion radical (83-41-0)

Guidance literature:

under 3 - 6 Torr; Equilibrium constant; Thermodynamic data; -ΔG₁⁰ (150 deg C), ΔH₁⁰, ΔS₁⁰ of electron transfer at 1 atm, other temperatures;

DOI:10.1002/oms.1210280416

upstream raw materials:

o-xylene

N-(2,3-dimethylphenyl)hydroxylamine

2,3-dimethyl-4-nitroaniline

benzene-1,3-dicarbonitrile

Downstream raw materials:

2-[1-(4-Methoxy-phenyl)-2-(2-methyl-6-nitro-phenyl)-ethyl]-malonic acid dimethyl ester

1,2-Dimethyl-3-nitro-benzene

azulene

1-naphthaldehyde

Refernces

• 1、 -. "Method and device for preparing methylnitro-benzene by channelization". Paragraph 0047; 0048; 0049. . Retrieved 2019/02/04.
• 2、 -. "3-nitro-o-xylene synthesis method". Paragraph 0017-0022. . Retrieved 2019/05/16.