2-Bromo-5-chloronitrobenzene

Base Information

• Chemical Name: 2-Bromo-5-chloronitrobenzene
• CAS No.: 41513-04-6
• Molecular Formula: C6H3BrClNO2
• Molecular Weight: 236.452
• Hs Code.: 29049090
• European Community (EC) Number: 255-421-4
• DSSTox Substance ID: DTXSID00194397
• Nikkaji Number: J29.533G
• Wikidata: Q69757104
• Mol file: 41513-04-6.mol

Synonyms:2-Bromo-5-chloronitrobenzene;41513-04-6;1-Bromo-4-chloro-2-nitrobenzene;BENZENE, 1-BROMO-4-CHLORO-2-NITRO-;MFCD00024320;1-bromo-4-chloro-2-nitro-benzene;EINECS 255-421-4;2-Brom-5-chlornitrobenzol;1-bromo-4-chloronitrobenzene;SCHEMBL165577;2-bromo-5-chloro-nitrobenzene;Bromo-4-chloro-2-nitrobenzene;2-Nitro-4-chlorophenyl bromide;1-bromo4-chloro-2-nitro-benzene;DTXSID00194397;4-Chloro-1-bromo-2-nitrobenzene;UKTIMFAJRPSNGR-UHFFFAOYSA-N;1-bromo-2-nitro-4-chloro-benzene;AMY28493;TD1113;AKOS005145854;CS-W002148;PB48086;1-Bromo-4-chloro-2-nitrobenzene, 97%;AC-26063;AS-17853;SY020713;B5696;FT-0611478;EN300-66036;A20738;Z855735496;4-Bromo-3-nitrochlorobenzene;1-Bromo-2-nitro-4-chlorobenzene;3-chloro-6-bromonitrobenzene

Chemical Property of 2-Bromo-5-chloronitrobenzene

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.0527mmHg at 25°C
• Melting Point: 67-70 °C(lit.)
• Refractive Index: 1.618
• Boiling Point: 242.5 °C at 760 mmHg
• Flash Point: 100.5 °C
• PSA: 45.82000
• Density: 1.827 g/cm³
• LogP: 3.53390
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 234.90357
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Bromo-4-chloro-2-nitrobenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])Br
• Uses: 1-Bromo-4-chloro-2-nitrobenzene is used in the synthesis of diindolocarbazoles used in the synthesis of ladder oligo(p-aniline)s useful in organic electronics. Also used in the synthesis of novel benzenesulfonamides for the discovery of potent cell cycle inhibitors. 2-bromo-4-methylpropiophenone employed as an important intermediate for raw material for organic synthesis, agrochemical, pharmaceutical and dyestuff field. Specifically, this chemical can act as the intermediate in the synthesis of 4-methyl methcathinone HCl (mephedrone HCl or 4-MMC HCl), which is used as the sample for development and validation of a presumptive color spot test method for the detection of piperazine analogues in seizing illicit materials. 1-Bromo-4-chloro-2-nitrobenzene may be used in chemical synthesis studies.
• Description: 2-Bromo-5-chloronitrobenzene is an organic compound, the molecular formula is C6H3BrClNO2. It is white to off-white crystal powder.

Technology Process of 2-Bromo-5-chloronitrobenzene

There total 10 articles about 2-Bromo-5-chloronitrobenzene 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: 96.0%

4-chloro-2-nitro-benzoic acid (6280-88-2) → 2-chloro-5-bromonitrobenzene (41513-04-6)

Guidance literature:

With trichloroisocyanuric acid; bromine; In tetrachloromethane; at 10 - 100 ℃; for 18h; Photolysis;

Reference yield: 94.0%

4-Chloro-2-nitroaniline (89-63-4) → 2-chloro-5-bromonitrobenzene (41513-04-6)

Guidance literature:

4-Chloro-2-nitroaniline; With copper(ll) bromide; In acetonitrile; for 0.25h;

With tert.-butylnitrite; In acetonitrile; at 60 ℃;

Reference yield: 48.7%

bromochlorobenzene (106-39-8) → 2-chloro-5-bromonitrobenzene (41513-04-6)

Guidance literature:

With sulfuric acid; nitric acid; In water; at 0 ℃; for 0.25h;

DOI:10.1021/jf902320e

upstream raw materials:

bromochlorobenzene

4-Chloro-2-nitroaniline

nitric acid

N-(4-chlorophenyl)acetamide

Downstream raw materials:

(4-chloro-2-nitro-phenyl)-(4-methoxy-2,6-dinitro-phenyl)-amine

2-bromo-5-chloroaniline

4-chloro-2-nitro-1-vinylbenzene

3,3'-dichloroazoxybenzene

Refernces

• 1、 Fu, Zhengjiang,Jiang, Ligao,Zuo, Qianming,Li, Zhaojie,Liu, Yanzhu,Wei, Zhenhong,Cai, Hu. "Inexpensive NaX (X = I, Br, Cl) as a halogen donor in the practical Ag/Cu-mediated decarboxylative halogenation of aryl carboxylic acids under aerobic conditions". supporting information. p. 5416 - 5421. Retrieved 2018/08/12.
• 2、 Fu, Zhengjiang,Li, Zhaojie,Song, Yuanyuan,Yang, Ruchun,Liu, Yanzhu,Cai, Hu. "Decarboxylative Halogenation and Cyanation of Electron-Deficient Aryl Carboxylic Acids via Cu Mediator as Well as Electron-Rich Ones through Pd Catalyst under Aerobic Conditions". . p. 2794 - 2803. Retrieved 2016/04/26.