1-Chloro-2-nitrobenzene

Base Information

• Chemical Name: 1-Chloro-2-nitrobenzene
• CAS No.: 88-73-3
• Molecular Formula: C6H4ClNO2
• Molecular Weight: 157.556
• Hs Code.: 29049085
• European Community (EC) Number: 201-854-9,246-695-6
• ICSC Number: 0028
• NSC Number: 36934
• UN Number: 1578
• UNII: D1YI9R2K8O
• DSSTox Substance ID: DTXSID0020280
• Nikkaji Number: J3.546G
• Wikipedia: 2-Nitrochlorobenzene
• Wikidata: Q2803418
• ChEMBL ID: CHEMBL53330
• Mol file: 88-73-3.mol

Synonyms:1-chloro-2-nitrobenzene;1-chloronitrobenzene;2-chloronitrobenzene;3-chloronitrobenzene;5-chloronitrobenzene;chloronitrobenzene;m-chloronitrobenzene;o-chloronitrobenzene;o-nitrochlorobenzene;ONCB;ortho-chloronitrobenzene;terrafun

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Chemical Property of 1-Chloro-2-nitrobenzene

Chemical Property:

• Appearance/Colour: yellow solid with a characteristic odour
• Vapor Pressure: 0.04 mm Hg ( 25 °C)
• Melting Point: 31-33 °C(lit.)
• Refractive Index: 1.58
• Boiling Point: 245.5 °C at 760 mmHg
• Flash Point: 96.5 °C
• PSA: 45.82000
• Density: 1.391 g/cm³
• LogP: 2.77140
• Storage Temp.: Store below +30°C.
• Solubility.: alcohol: soluble
• Water Solubility.: 0.43 g/L (20 ºC)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.9930561
• Heavy Atom Count: 10
• Complexity: 134
• Transport DOT Label: Poison

Purity/Quality:

Safty Information:

• Hazard Codes: T
• Statements: 22-24-52-53-52/53
• Safety Statements: 36/37/39-45-60-38-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitros, Aromatic
• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])Cl
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes. 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 and liver. This may result in the formation of methaemoglobin, anaemia and liver impairment.
• Uses: Intermediate, especially for dyes. Chemical intermediate in manufacture of dyes, picric acid, lumber preservatives, and diaminophenol hydrochloride (a photographic developer) 1-Chloro-2-nitrobenzene was used in the synthesis of 1-hydroxybenzotriazole derivatives. It is important as a precursor to other compounds due to the two reactive sites present on the molecule.

Technology Process of 1-Chloro-2-nitrobenzene

There total 76 articles about 1-Chloro-2-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: 86.0%

chlorobenzene (108-90-7) → 4-chlorobenzonitrile (100-00-5) + 2-Chloronitrobenzene (88-73-3)

Guidance literature:

With nickel ammonium sulfate; nitric acid; In chloroform; water; at 20 ℃; for 3h;

DOI:10.1081/SCC-100103545

Reference yield: 12.0%

aniline hydrochloride (142-04-1,36663-09-9) → 2,4-dichloronitrobenzene (611-06-3) + 4-chlorobenzonitrile (100-00-5) + 2-Chloronitrobenzene (88-73-3)

Guidance literature:

With 3,3-dimethyldioxirane; In acetone; at 20 ℃;

Reference yield:

nitro acetate (591-09-3) + chlorobenzene (108-90-7) → 4-chlorobenzonitrile (100-00-5) + 2-Chloronitrobenzene (88-73-3)

Guidance literature:

With acetic anhydride; acetonitrile; at 0 - 25 ℃;

DOI:10.1039/jr9380000918

upstream raw materials:

3-chloro-4-nitroaniline

2-nitro-aniline

nitro acetate

chlorobenzene

Downstream raw materials:

N-(2-nitrophenyl)morpholine

N-(2-nitrophenyl)-2-aminopyridine

2-(2-nitro-phenylsulfanyl)-benzo[b]thiophene

3-(2-nitro-phenylsulfanyl)-benzo[b]thiophene

Refernces

• 1、 Fauziev, Ruslan V.,Kharchenko, Alexandr K.,Kuchurov, Ilya V.,Zharkov, Mikhail N.,Zlotin, Sergei G.. "Nitration of aromatics with dinitrogen pentoxide in a liquefied 1,1,1,2-tetrafluoroethane medium". . p. 25841 - 25847. Retrieved 2021/08/09.
• 2、 Badgoti, Ranveer Singh,Dandia, Anshu,Parewa, Vijay,Rathore, Kuldeep S.,Saini, Pratibha,Sharma, Ruchi. "The graphite-catalyzed: ipso -functionalization of arylboronic acids in an aqueous medium: metal-free access to phenols, anilines, nitroarenes, and haloarenes". . p. 18040 - 18049. Retrieved 2021/05/29.