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4-Bromo-2-methylphenyl isocyanate is a halogenated chemical compound with an isocyanate group, typically used in organic synthesis processes. It is a solid substance at room temperature, predominantly white or off-white in color. As a member of the isocyanate family, it exhibits properties common within this group of chemicals. Due to its potential reactivity and volatility, it is considered potentially hazardous and should be handled with care to prevent harmful health effects. Its molecular formula is C8H6BrNO, and it has a molecular weight of 214.04 g/mol.

1591-98-6

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1591-98-6 Usage

Uses

Used in Chemical Research and Manufacturing:
4-Bromo-2-methylphenyl isocyanate is used as a key intermediate in the synthesis of various organic compounds for chemical research and manufacturing purposes. Its unique structure and reactivity make it a valuable component in the development of new chemical entities and materials.
Used in Organic Synthesis Processes:
In the field of organic chemistry, 4-Bromo-2-methylphenyl isocyanate is employed as a reactant in the synthesis of complex molecules and pharmaceutical compounds. Its isocyanate group allows for versatile reactions, such as nucleophilic addition and substitution, which are crucial for constructing diverse molecular architectures.
Used in Pharmaceutical Development:
4-Bromo-2-methylphenyl isocyanate is utilized as a building block in the design and synthesis of potential drug candidates. Its presence in the molecular structure can influence the pharmacological properties of the final product, such as potency, selectivity, and bioavailability, making it an important component in the development of new therapeutic agents.
Used in Material Science:
4-Bromo-2-methylphenyl isocyanate is also used in the development of novel materials with specific properties, such as polymers with tailored mechanical, thermal, or electrical characteristics. Its incorporation into the material's structure can lead to improved performance and new applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 1591-98-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,5,9 and 1 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1591-98:
(6*1)+(5*5)+(4*9)+(3*1)+(2*9)+(1*8)=96
96 % 10 = 6
So 1591-98-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3

1591-98-6 Well-known Company Product Price

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  • Alfa Aesar

  • (L11095)  4-Bromo-2-methylphenyl isocyanate, 98%   

  • 1591-98-6

  • 1g

  • 505.0CNY

  • Detail
  • Alfa Aesar

  • (L11095)  4-Bromo-2-methylphenyl isocyanate, 98%   

  • 1591-98-6

  • 5g

  • 1806.0CNY

  • Detail

1591-98-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-BROMO-2-METHYLPHENYL ISOCYANATE

1.2 Other means of identification

Product number -
Other names 4-bromo-1-isocyanato-2-methylbenzene

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:1591-98-6 SDS

1591-98-6Relevant academic research and scientific papers

DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF

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Paragraph 0132; 0133, (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.

Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such

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Page/Page column 56, (2010/04/23)

Compounds of formula (I): wherein X is O or S, R1 is acyl, aldehyde, cycloalkyl, an optionally substituted alkyl, alkenyl or alkynyl, R2 is H. alkyl, hydroxyalkyl, haloalkyl, alkenyl, or alkynyl; substituted alkyl; alkylcarbonyl; R3 and R4 are H, halogen, alkyl, alkenyl, alkynyl, alkoxyl, alkylthio, hydroxyalkyl, haloalkyl, haloalkenyl, or haloalkynyl; or R3 and R4 form an, optionally aromatic or heterocyclic, optionally substituted ring, R5 is H, halogen, trifluoromethyl, —CN, or —NO2; not all of R3, R4, and R5 being H, R6 and R9 are H, halogen, OH; alkyl. hydroxyalkyl, alkoxyl, thioalkyl, haloalkyl, alkenyl, or alkynyl; R7 and R8 are H, halogen, OH, SH; alkoxyl or alkylthio optionally substituted by OH and/or halogen; one of R7 and R8 not being H or halogen; or one of R7 and R8 is a pharmaceutically acceptable ester or thioester grouping, or R6 is C1-3-alkyl or, together with either R1 or R2, represents C1-3 alkylene or alkenylene linking group, optionally substituted by methyl, trifluoromethyl, OH, or halogen, and pharmaceutically acceptable salts and esters thereof, are useful as selective androgen modulators.

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