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Cas Database

41513-04-6

41513-04-6

Identification

  • Product Name:Benzene,1-bromo-4-chloro-2-nitro-

  • CAS Number: 41513-04-6

  • EINECS:255-421-4

  • Molecular Weight:236.452

  • Molecular Formula: C6H3BrClNO2

  • HS Code:29049090

  • Mol File:41513-04-6.mol

Synonyms:1-Bromo-2-nitro-4-chlorobenzene;1-Bromo-4-chloro-2-nitrobenzene;4-Bromo-3-nitrochlorobenzene;4-Chloro-2-bromonitrobenzene;

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Safety information and MSDS view more

  • Pictogram(s):IrritantXi, HarmfulXn

  • Hazard Codes:Xi,Xn

  • Signal Word:Warning

  • Hazard Statement:H315 Causes skin irritationH319 Causes serious eye irritation H335 May cause respiratory irritation

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

  • Manufacture/Brand
  • Product Description
  • Packaging
  • Price
  • Delivery
  • Purchase
  • Manufacture/Brand:TCI Chemical
  • Product Description:1-Bromo-4-chloro-2-nitrobenzene >98.0%(GC)
  • Packaging:5g
  • Price:$ 28
  • Delivery:In stock
  • Buy Now
  • Manufacture/Brand:TCI Chemical
  • Product Description:1-Bromo-4-chloro-2-nitrobenzene >98.0%(GC)
  • Packaging:25g
  • Price:$ 125
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2-Bromo-5-chloronitrobenzene
  • Packaging:100 g
  • Price:$ 68
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2-Bromo-5-chloronitrobenzene
  • Packaging:1 kg
  • Price:$ 468
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2-Bromo-5-chloronitrobenzene
  • Packaging:500 g
  • Price:$ 276
  • Delivery:In stock
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Bromo-4-chloro-2-nitrobenzene 97%
  • Packaging:100g
  • Price:$ 241
  • Delivery:In stock
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:1-Bromo-4-chloro-2-nitrobenzene 97%
  • Packaging:25g
  • Price:$ 83
  • Delivery:In stock
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  • Manufacture/Brand:Oakwood
  • Product Description:2-Bromo-5-chloronitrobenzene 97%
  • Packaging:100g
  • Price:$ 59
  • Delivery:In stock
  • Buy Now
  • Manufacture/Brand:Oakwood
  • Product Description:2-Bromo-5-chloronitrobenzene 97%
  • Packaging:25g
  • Price:$ 19
  • Delivery:In stock
  • Buy Now
  • Manufacture/Brand:Oakwood
  • Product Description:2-Bromo-5-chloronitrobenzene 97%
  • Packaging:5g
  • Price:$ 10
  • Delivery:In stock
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Relevant articles and documentsAll total 6 Articles be found

Dehydroxyalkylative halogenation of C(aryl)-C bonds of aryl alcohols

Liu, Mingyang,Zhang, Zhanrong,Liu, Huizhen,Wu, Tianbin,Han, Buxing

, p. 7120 - 7123 (2020/07/14)

We herein report Cu mediated side-directed dehydroxyalkylative halogenation of aryl alcohols. C(aryl)-C bonds of aryl alcohols were effectively cleaved, affording the corresponding aryl chlorides, bromides and iodides in excellent yields. Aryl alcohols could serve as both aromatic electrophilic and radical synthetic equivalents during the reaction.

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

Fu, Zhengjiang,Jiang, Ligao,Zuo, Qianming,Li, Zhaojie,Liu, Yanzhu,Wei, Zhenhong,Cai, Hu

supporting information, p. 5416 - 5421 (2018/08/12)

Versatile and practical Ag/Cu-mediated decarboxylative halogenation between readily available aryl carboxylic acids and abundant NaX (X = I, Br, Cl) has been achieved under aerobic conditions in moderate to good yields. The halodecarboxylation is shown to be an effective strategy for S-containing heteroaromatic carboxylic acid and benzoic acids with nitro, chloro and methoxyl substituents at the ortho position. A gram-scale reaction and a three-step procedure to synthesize iniparib have been performed to evaluate the practicality of this protocol. A preliminary mechanistic investigation indicates that Cu plays a vital role and a radical pathway is involved in the transformation.

PROCESS FOR THE PREPARATION OF ORGANIC HALIDES

-

Paragraph 00122, (2017/08/01)

The present invention provides a halo-de-carboxylation process for the preparation of organic chlorides, organic bromides and mixtures thereof, from their corresponding carboxylic acids, using a chlorinating agent selected from trichloroisocyanuric acid (TCCA), dichloroisocyanuric acid (DCCA), or combination thereof, and a brominating agent.

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

Fu, Zhengjiang,Li, Zhaojie,Song, Yuanyuan,Yang, Ruchun,Liu, Yanzhu,Cai, Hu

, p. 2794 - 2803 (2016/04/26)

Simple strategies for decarboxylative functionalizations of electron-deficient benzoic acids via using Cu(I) as promoter and electron-rich ones by employing Pd(II) as catalyst under aerobic conditions have been established, which lead to smooth synthesis of aryl halides (-I, Br, and Cl) through the decarboxylative functionalization of benzoic acids with readily available halogen sources CuX (X = I, Br, Cl), and easy preparation of benzonitriles from decarboxylative cyanation of aryl carboxylic acids with nontoxic and low-cost K4Fe(CN)6 under an oxygen atmosphere for the first time.

GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF

-

Page/Page column 69, (2009/12/28)

Compounds of Formula I wherein R1, R2, X, and Y are as defined herein, or a tautomer, optical isomer, prodrug, co-crystal, or salt thereof; pharmaceutical compositions containing such compounds, and methods of modulating the glucocorticoid receptor function and methods of treating disease-states or conditions mediated by the glucocorticoid receptor function or characterized by inflammatory, allergic, or proliferative processes in a patient using these compounds.

Process route upstream and downstream products

Process route

4-chloro-2-nitro-benzoic acid
6280-88-2

4-chloro-2-nitro-benzoic acid

2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

Conditions
Conditions Yield
With trichloroisocyanuric acid; bromine; In tetrachloromethane; at 10 - 100 ℃; for 18h; Photolysis;
96%
With copper(l) iodide; oxygen; copper(I) bromide; In dimethyl sulfoxide; at 160 ℃; for 30h; under 760.051 Torr; Schlenk technique; Sealed tube;
81%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper diacetate; silver sulfate; sodium bromide; In dimethyl sulfoxide; at 160 ℃; for 20h; under 760.051 Torr; Schlenk technique;
64%
4-Chloro-2-nitroaniline
89-63-4

4-Chloro-2-nitroaniline

2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

Conditions
Conditions Yield
4-Chloro-2-nitroaniline; With copper(ll) bromide; In acetonitrile; for 0.25h;
With tert.-butylnitrite; In acetonitrile; at 60 ℃;
94%
With hydrogen bromide; copper(I) bromide; Diazotization;
bromochlorobenzene
106-39-8

bromochlorobenzene

2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

Conditions
Conditions Yield
With sulfuric acid; nitric acid; In water; at 0 ℃; for 0.25h;
48.7%
(R,S)-1-(4-chloro-2-nitrophenyl)ethanol
787633-79-8

(R,S)-1-(4-chloro-2-nitrophenyl)ethanol

2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

Conditions
Conditions Yield
With 1,10-Phenanthroline; oxygen; potassium carbonate; In dimethyl sulfoxide; at 140 ℃; for 36h; under 3750.38 Torr; Autoclave; Molecular sieve;
50 %Chromat.
4'-chloro-2'-nitroacetophenone
23082-51-1

4'-chloro-2'-nitroacetophenone

2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: sodium tetrahydroborate / methanol / 0 °C
2: potassium carbonate; 1,10-Phenanthroline; oxygen / dimethyl sulfoxide / 36 h / 140 °C / 3750.38 Torr / Autoclave; Molecular sieve
With sodium tetrahydroborate; 1,10-Phenanthroline; oxygen; potassium carbonate; In methanol; dimethyl sulfoxide;
4-Brom-3-nitrobenzoldiazoniumion

4-Brom-3-nitrobenzoldiazoniumion

2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

Conditions
Conditions Yield
With hydrogenchloride; copper(l) chloride; In acetic acid; at 20 ℃; Rate constant;
N-(4-chlorophenyl)acetamide
539-03-7

N-(4-chlorophenyl)acetamide

2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: nitric acid / -10 °C / durch Erwaermen des Reaktionsprodukts mit etwas konz. Schwefelsaeure auf 100grad
2: aqueous hydrobromic acid; CuBr / Diazotization
With hydrogen bromide; nitric acid; copper(I) bromide;
bromochlorobenzene
106-39-8

bromochlorobenzene

2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

4-bromo-1-chloro-2-nitrobenzene
16588-24-2

4-bromo-1-chloro-2-nitrobenzene

Conditions
Conditions Yield
With nitric acid;
bromochlorobenzene
106-39-8

bromochlorobenzene

2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

4-bromo-1-chloro-2-nitrobenzene
16588-24-2

4-bromo-1-chloro-2-nitrobenzene

Conditions
Conditions Yield
at 0 ℃;
2-chloro-5-bromonitrobenzene
41513-04-6

2-chloro-5-bromonitrobenzene

Conditions
Conditions Yield
4-Chlor-2-nitroanilin, 1) Diazotierung, 2) CuBr/HBr;
(yield)Roh-Ausbeute: 81percent;

Global suppliers and manufacturers

Global( 97) Suppliers
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  • Amadis Chemical Co., Ltd.
  • Business Type:Lab/Research institutions
  • Contact Tel:86-571-89925085
  • Emails:sales@amadischem.com
  • Main Products:29
  • Country:China (Mainland)
  • Shaanxi BLOOM TECH Co.,Ltd
  • Business Type:Lab/Research institutions
  • Contact Tel:+86-29-86470566
  • Emails:sales@bloomtechz.com
  • Main Products:79
  • Country:China (Mainland)
  • Shanghai Upbio Tech Co.,Ltd
  • Business Type:Lab/Research institutions
  • Contact Tel:+86-21-52196435
  • Emails:upbiocn@hotmail.com
  • Main Products:88
  • Country:China (Mainland)
  • Chemwill Asia Co., Ltd.
  • Business Type:Manufacturers
  • Contact Tel:021-51086038
  • Emails:sales@chemwill.com
  • Main Products:56
  • Country:China (Mainland)
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