2-Nitroaniline

Base Information Edit

Chemical Name:2-Nitroaniline
CAS No.:88-74-4
Molecular Formula:C6H6N2O2
Molecular Weight:138.126
Hs Code.:29214210
European Community (EC) Number:201-855-4
ICSC Number:0306
NSC Number:9796
UN Number:1661
UNII:2519U0541L
DSSTox Substance ID:DTXSID1025726
Nikkaji Number:J812.451E,J3.908J
Wikipedia:2-Nitroaniline
Wikidata:Q2590230
ChEMBL ID:CHEMBL274009
Mol file:88-74-4.mol

Synonyms:2-nitroaniline;o-nitroaniline;ortho-nitroaniline

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 2-Nitroaniline Edit

Chemical Property:

Appearance/Colour:orange solid
Vapor Pressure:0.00289mmHg at 25°C
Melting Point:70-73 °C(lit.)
Refractive Index:1.634
Boiling Point:284.9 °C at 760 mmHg
PKA:-0.26(at 25℃)
Flash Point:126.1 °C
PSA：71.84000
Density:1.333 g/cm³
LogP:2.28140
Storage Temp.:2-8°C
Solubility.:methanol: 0.1 g/mL, clear
Water Solubility.:1.1 g/L (20 ºC)
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:138.042927438
Heavy Atom Count:10
Complexity:132
Transport DOT Label:Poison

Purity/Quality:

Safty Information:

Pictogram(s): T, F
Hazard Codes:T,F
Statements: 23/24/25-33-52/53-39/23/24/25-11
Safety Statements: 28-36/37-45-61-28A-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Nitrogen Compounds -> Nitroanilines
Canonical SMILES:C1=CC=C(C(=C1)N)[N+](=O)[O-]
Inhalation Risk:No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Effects of Short Term Exposure:The substance may cause effects on the blood. This may result in the formation of methaemoglobin. The effects may be delayed. Medical observation is indicated.
Effects of Long Term Exposure:The substance may have effects on the blood. This may result in the formation of methaemoglobin.
Uses 2-Nitroaniline is the main precursor to?phenylenediamines, which are converted to?benzimidazoles, a family of?heterocycles?that are key components in pharmaceuticals.

Technology Process of 2-Nitroaniline

There total 214 articles about 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: 88.0%

: 62-53-3
aniline

: 100-01-6,104810-17-5
4-nitro-aniline

: 88-74-4
2-nitro-aniline

Guidance literature:: With nickel ammonium sulfate; nitric acid; In chloroform; water; at 20 ℃; for 4h;
DOI:10.1081/SCC-100103545

Reference yield: 71.0%

: 98-95-3,26969-40-4
nitrobenzene

: 100-01-6,104810-17-5
4-nitro-aniline

: 88-74-4
2-nitro-aniline

Guidance literature:: With potassium tert-butylate; N,N-tetramethylene-thiocarbamoyl-sulphenamide; In N,N-dimethyl-formamide; at 20 ℃; for 0.333333h; Product distribution; Mechanism; other sulfenamide reagents, other nitroarenes;
DOI:10.1021/jo00044a002