2-Nitroanisole

Base Information

Chemical Name:2-Nitroanisole
CAS No.:91-23-6
Deprecated CAS:35973-13-8
Molecular Formula:C7H7NO3
Molecular Weight:153.137
Hs Code.:2909.30
European Community (EC) Number:202-052-1
ICSC Number:1520
NSC Number:5506
UN Number:2730
UNII:ZRE7HLZ17K
DSSTox Substance ID:DTXSID3020962
Nikkaji Number:J3.923C
Wikipedia:O-Nitroanisole
Wikidata:Q27121353
NCI Thesaurus Code:C44312
Metabolomics Workbench ID:57114
ChEMBL ID:CHEMBL166415
Mol file:91-23-6.mol

Synonyms:2-nitroanisole;o-nitroanisole;o-nitrophenyl methyl ether;ortho-nitroanisole

Suppliers and Price of 2-Nitroanisole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 22 raw suppliers

Chemical Property of 2-Nitroanisole

Chemical Property:

Appearance/Colour:yellow to amber liquid
Melting Point:9-12 °C(lit.)
Refractive Index:1.5603
Boiling Point:277 °C at 760 mmHg
Flash Point:127 °C
PSA：55.05000
Density:1.222 g/cm³
LogP:2.12660
Water Solubility.:1.45 g/L (20℃)
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:153.042593085
Heavy Atom Count:11
Complexity:143

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s): T
Hazard Codes: T:Toxic;
Statements: R22:; R45:;
Safety Statements: S45:; S53:;

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Other Aromatics (Nitrogen)
Canonical SMILES:COC1=CC=CC=C1[N+](=O)[O-]
Inhalation Risk:A harmful concentration of airborne particles can be reached quickly on spraying.
Effects of Short Term Exposure:Exposure at high levels could cause formation of methaemoglobin. The effects may be delayed. Medical observation is indicated.
Effects of Long Term Exposure:The substance defats the skin, which may cause dryness or cracking. This substance is possibly carcinogenic to humans. The substance may have effects on the blood. This may result in anaemia.

Technology Process of 2-Nitroanisole

There total 83 articles about 2-Nitroanisole 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: 85.0%

: 100-66-3
methoxybenzene

: 100-17-4
para-methoxynitrobenzene

: 91-23-6
2-Nitroanisole

Guidance literature:: With silica supported Al(NO₃)3*9H₂O; In acetone; at 20 ℃; for 0.75h; regioselective reaction;
DOI:10.2174/1570178612666150108000402

Reference yield: 81.0%

: 100-66-3
methoxybenzene

: 100-17-4
para-methoxynitrobenzene

: 91-23-6
2-Nitroanisole

: 88-75-5,78813-12-4
2-hydroxynitrobenzene

Guidance literature:: With dinitrogen tetraoxide; In dichloromethane; at -30 ℃; for 1h;

Reference yield: 69.0%

: 119-27-7
2,4-dinitroanisole

: 100-17-4
para-methoxynitrobenzene

: 91-23-6
2-Nitroanisole

Guidance literature:: With potassium phosphate; bis(acetylacetonato)palladium(II); dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; isopropyl alcohol; In 1,4-dioxane; at 130 ℃; for 2h;
DOI:10.1021/acs.orglett.8b00430