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4-BROMOPHENYL ISOCYANATE is an organic compound characterized by its white to light beige crystalline solid appearance. It is a chemical intermediate that plays a crucial role in the synthesis of various chemical products.

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  • 2493-02-9 Structure
  • Basic information

    1. Product Name: 4-BROMOPHENYL ISOCYANATE
    2. Synonyms: P-BROMOPHENYL ISOCYANATE;p-Bromophenylcarbonimide;1-bromo-4-isocyanato-benzen;1-Bromo-4-isocyanatobenzene;Benzene, 1-bromo-4-isocyanato-;Isocyanic acid p-bromophenyl ester;isocyanicacid,p-bromophenylester;p-Bromocarbanil
    3. CAS NO:2493-02-9
    4. Molecular Formula: C7H4BrNO
    5. Molecular Weight: 198.02
    6. EINECS: 219-662-9
    7. Product Categories: Isocyanates;Nitrogen Compounds;Organic Building Blocks;Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
    8. Mol File: 2493-02-9.mol
  • Chemical Properties

    1. Melting Point: 42-44 °C(lit.)
    2. Boiling Point: 158 °C14 mm Hg(lit.)
    3. Flash Point: 229 °F
    4. Appearance: White to light beige/Crystalline Solid
    5. Density: 1.6077 (rough estimate)
    6. Refractive Index: 1.5500 (estimate)
    7. Storage Temp.: Refrigerator (+4°C)
    8. Solubility: diethyl ether: very slightly soluble
    9. Water Solubility: Sparingly soluble in water (0.40 g/L at 25°C).
    10. Sensitive: Moisture Sensitive
    11. Merck: 14,1430
    12. BRN: 508203
    13. CAS DataBase Reference: 4-BROMOPHENYL ISOCYANATE(CAS DataBase Reference)
    14. NIST Chemistry Reference: 4-BROMOPHENYL ISOCYANATE(2493-02-9)
    15. EPA Substance Registry System: 4-BROMOPHENYL ISOCYANATE(2493-02-9)
  • Safety Data

    1. Hazard Codes: Xn,Xi
    2. Statements: 20/21/22-36/37/38
    3. Safety Statements: 7-26-27-36/37/39
    4. RIDADR: 2206
    5. WGK Germany: 3
    6. RTECS: CY9035500
    7. TSCA: Yes
    8. HazardClass: 6.1
    9. PackingGroup: III
    10. Hazardous Substances Data: 2493-02-9(Hazardous Substances Data)

2493-02-9 Usage

Uses

Used in Chemical Synthesis:
4-BROMOPHENYL ISOCYANATE is used as a chemical intermediate for the preparation of bromophenylurea and urethan derivatives. These derivatives have a wide range of applications in different industries, including pharmaceuticals and agrochemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-BROMOPHENYL ISOCYANATE is used as a key component in the synthesis of mixed bisamide derivatives and monoamide products. These products are essential in the development of new drugs and therapeutic agents, contributing to the advancement of medical treatments.
Used in Agrochemical Industry:
Similarly, in the agrochemical industry, 4-BROMOPHENYL ISOCYANATE is utilized as a starting material for the synthesis of various compounds with pesticidal properties. These compounds are vital in the development of effective and environmentally friendly solutions for pest control and crop protection.

Check Digit Verification of cas no

The CAS Registry Mumber 2493-02-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,4,9 and 3 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 2493-02:
(6*2)+(5*4)+(4*9)+(3*3)+(2*0)+(1*2)=79
79 % 10 = 9
So 2493-02-9 is a valid CAS Registry Number.
InChI:InChI=1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

2493-02-9 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Alfa Aesar

  • (L10834)  4-Bromophenyl isocyanate, 99%   

  • 2493-02-9

  • 5g

  • 424.0CNY

  • Detail
  • Alfa Aesar

  • (L10834)  4-Bromophenyl isocyanate, 99%   

  • 2493-02-9

  • 25g

  • 1404.0CNY

  • Detail
  • Aldrich

  • (241563)  4-Bromophenylisocyanate  99%

  • 2493-02-9

  • 241563-10G

  • 549.90CNY

  • Detail
  • Aldrich

  • (241563)  4-Bromophenylisocyanate  99%

  • 2493-02-9

  • 241563-50G

  • 2,286.18CNY

  • Detail

2493-02-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromo-4-isocyanatobenzene

1.2 Other means of identification

Product number -
Other names 4-bromophenylcarbimide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:2493-02-9 SDS

2493-02-9Relevant articles and documents

Synthesis and structure-activity relationship study of pyrrolidine-oxadiazoles as anthelmintics against Haemonchus contortus

Ruan, Banfeng,Zhang, Yuezhou,Tadesse, Solomon,Preston, Sarah,Taki, Aya C.,Jabbar, Abdul,Hofmann, Andreas,Jiao, Yaqing,Garcia-Bustos, Jose,Harjani, Jitendra,Le, Thuy Giang,Varghese, Swapna,Teguh, Silvia,Xie, Yiyue,Odiba, Jephthah,Hu, Min,Gasser, Robin B.,Baell, Jonathan

supporting information, (2020/02/04)

Parasitic roundworms (nematodes) are significant pathogens of humans and animals and cause substantive socioeconomic losses due to the diseases that they cause. The control of nematodes in livestock animals relies heavily on the use of anthelmintic drugs. However, their extensive use has led to a widespread problem of drug resistance in these worms. Thus, the discovery and development of novel chemical entities for the treatment of parasitic worms of humans and animals is needed. Herein, we describe our medicinal chemistry optimization efforts of a phenotypic hit against Haemonchus contortus based on a pyrrolidine-oxadiazole scaffold. This led to the identification of compounds with potent inhibitory activities (IC50 = 0.78–22.4 μM) on the motility and development of parasitic stages of H. contortus, and which were found to be highly selective in a mammalian cell counter-screen. These compounds could be used as suitable chemical tools for drug target identification or as lead compounds for further optimization.

Sulfonylurea dehydroabietate compound and preparation method and application thereof

-

Paragraph 0062; 0064; 0068, (2019/02/04)

The invention discloses a sulfonylurea dehydroabietate compound and a preparation method and application thereof. The compound has a chemical structural formula represented by a formula shown in the description, wherein R1 is 2-Br, 3-Br, 4-Br, 4-OCH3, 4-F, 2-CH3, 3-CH3, 4-CH3, 2-Cl, 3-Cl or H, and 2, 3 and 4 represent 2, 3 and 4 substituent sites on a benzene ring. The preparation method of the compound comprises the following steps synthesizing sulfonyl chloride dehydroabietate; synthesizing sulfonamide dehydroabietate; synthesizing substituted phenyl isocyanate; synthesizing N'-substituted phenyl-12-sulfonylurea dehydroabietate. The compound disclosed by the invention has better activity and low toxicity and provides a better lead compound for developing antitumor drugs.

Decarboxylative Organocatalytic Allylic Amination of Morita–Baylis–Hillman Carbamates

Do?ekal, Vojtěch,?imek, Michal,Dra?ínsky, Martin,Vesely, Jan

supporting information, p. 13441 - 13445 (2018/09/21)

The present study reports the organocatalytic enantioselective allylic amination of Morita–Baylis–Hillman carbamates efficiently catalyzed by a chiral amine in the presence of a Br?nsted acid. Chiral allylic amines were produced in high yields (up to 98 %) and enantioselectivities (up to 97 % ee). This method provides an efficient and easily performed route to prepare α-methylene-β-lactams, and other optically active β-lactams, such as the cholesterol-lowering drug Ezetimibe.

Synthesis and nematicidal activity of piperazinedione derivatives based on the natural product Barettin

Sun, Haiyang,Li, Hui,Wang, Jiayi,Song, Gonghua

, p. 977 - 980 (2017/11/16)

Nematodes are serious constraints of crop production worldwide. However, the traditional nematicides suffer from the side-effects, including environmental and human toxicity. Herein, more than 70 novel piperazinedione derivatives based on the natural product Barettin were synthesized and evaluated against the root-knot nematode Meloidogyne incognita (M. incognita). While most of synthesized compounds exhibited certain nematicidal activity at high concentration, the best one showed a nematicidal activity of 75% at 2.4 μmol/L.

2-[3-(4-morpholinyl)propylamine]-3-aryl-4-quinolinone compounds and application thereof

-

Paragraph 0049; 0063, (2018/04/21)

The invention belongs to the technical field of medicines and relates to 2-[3-(4-morpholinyl)propylamine]-3-aryl-4-quinolinone compounds and an application thereof. 2-[3-(4-morpholinyl)propylamine]-3-aryl-4-quinolinone derivatives comprise stereisomers and pharmaceutically applicable salts of the compounds and have the general structural formula shown in the description, wherein R is described inthe claims and description. The 2-[3-(4-morpholinyl)propylamine]-3-aryl-4-quinolinone derivatives and pharmaceutically applicable acid-added salts of the compounds can be combined with existing medicines or used separately to serve as influenza virus inhibitors to treat influenza and have better curative effects on various type-A influenza in particular.

Copper-catalyzed N[sbnd]H/S[sbnd]H functionalization: A strategy for the synthesis of benzothiadiazine derivatives

Do?an, ?engül Dilem

, p. 2217 - 2224 (2017/03/24)

A copper-mediated N[sbnd]S bond-forming reaction via N[sbnd]H/S[sbnd]H activation is described. This reaction occurs under mild conditions with high efficiency, step economy, and tolerates a wide variety of functional groups, providing an efficient means of accessing biologically important 1,2,4-benzothiadiazin-3(4H)-ones.

DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF

-

Paragraph 0199; 0200, (2016/08/23)

The present invention discloses a novel DGAT1 inhibitor, especially the compound of formula (I) or a pharmaceutically acceptable salt thereof, preparation and pharmaceutical composition thereof, as well as their uses in the preparation of a medicament for the prevention and treatment of Familial hyperchylomicronemia (FCS), obesity, hyperlipoproteinemia or hypertriglyceridemia.

A 10th factor inhibitor and its preparation method and application (by machine translation)

-

Paragraph 0155; 0156, (2016/10/08)

The invention relates to a 10th factor inhibitor and its preparation and application, the 10th factor inhibitor has the structure of formula I, the invention inhibitors to alpha-amino acid as a template, respectively through the amide, carbamate, or urea to the branched chain is formed by a series of novel structure of the compound, this kind of compound can be effectively with the 10th factor binding, prevent the formation of thrombus. (by machine translation)

Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates

Geng, Xiaoyu,Wang, Congyang

supporting information, p. 7619 - 7623 (2015/07/15)

The first C-H aminocarbonylation of azobenzenes with isocyanates is achieved by using rhenium-catalysis, which provides an expedient and atom-economical access to varied o-azobenzamides from readily available starting materials. The reaction efficiency can be enhanced by the catalytic use of sodium acetate via accelerated C-H bond activation.

Synthesis of unsymmetrical phenylurea derivatives via oxidative cross coupling of aryl formamides with amines under metal-free conditions

Reddy, Nagireddy Veera,Kumar, Pailla Santhosh,Reddy, Peddi Sudhir,Kantam, Mannepalli Lakshmi,Reddy, Kallu Rajender

supporting information, p. 805 - 809 (2015/02/19)

A new synthetic approach for phenylurea derivatives involving the cross coupling of N-aryl formamides with amines through the formation of isocyanate intermediates in the presence of hypervalent iodine reagents is described.

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