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7-Bromo-5-nitroindole, with the molecular formula C8H5BrN2O2, is a derivative of the heterocyclic aromatic organic compound indole. This chemical features a bromine atom and a nitro group attached to the indole ring, endowing it with unique chemical properties that make it a valuable building block in organic synthesis and medicinal chemistry. It is also known for its potential applications in the development of pharmaceuticals and agrochemicals.

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  • 87240-07-1 Structure
  • Basic information

    1. Product Name: 7-BROMO-5-NITROINDOLE
    2. Synonyms: 7-BROMO-5-NITROINDOLE
    3. CAS NO:87240-07-1
    4. Molecular Formula: C8H5BrN2O2
    5. Molecular Weight: 241.04
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 87240-07-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 402.3 °C at 760 mmHg
    3. Flash Point: 197.1 °C
    4. Appearance: /
    5. Density: 1.855 g/cm3
    6. Vapor Pressure: 2.57E-06mmHg at 25°C
    7. Refractive Index: 1.747
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 13.58±0.30(Predicted)
    11. CAS DataBase Reference: 7-BROMO-5-NITROINDOLE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 7-BROMO-5-NITROINDOLE(87240-07-1)
    13. EPA Substance Registry System: 7-BROMO-5-NITROINDOLE(87240-07-1)
  • Safety Data

    1. Hazard Codes: Xi,T
    2. Statements: 25
    3. Safety Statements: 45
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 87240-07-1(Hazardous Substances Data)

87240-07-1 Usage

Uses

Used in Pharmaceutical Synthesis:
7-Bromo-5-nitroindole is utilized as an intermediate in the synthesis of various pharmaceuticals, contributing to the development of new drugs with diverse therapeutic applications. Its unique chemical structure allows for further functionalization and modification, enabling the creation of novel compounds with improved pharmacological properties.
Used in Agrochemical Production:
In the agrochemical industry, 7-Bromo-5-nitroindole serves as a key intermediate for the synthesis of various agrochemicals, including pesticides and herbicides. Its incorporation into these products enhances their effectiveness in controlling pests and weeds, thereby improving crop yields and quality.
Used in Organic Synthesis:
7-Bromo-5-nitroindole is a valuable building block in organic synthesis, allowing chemists to construct a wide range of indole derivatives with potential biological activities. Its presence in these compounds can modulate their properties, leading to the discovery of new molecules with therapeutic, agrochemical, or other applications.
Used in Medicinal Chemistry:
7-Bromo-5-nitroindole plays a significant role in medicinal chemistry, where it is employed in the design and synthesis of new drug candidates. Its unique chemical properties enable the development of compounds with improved pharmacokinetics, selectivity, and potency, ultimately contributing to the advancement of novel therapeutic agents for various diseases and conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 87240-07-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,7,2,4 and 0 respectively; the second part has 2 digits, 0 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 87240-07:
(7*8)+(6*7)+(5*2)+(4*4)+(3*0)+(2*0)+(1*7)=131
131 % 10 = 1
So 87240-07-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H5BrN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h1-4,10H

87240-07-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-bromo-5-nitro-1H-indole

1.2 Other means of identification

Product number -
Other names 7-BROMO-5-NITROINDOLE

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:87240-07-1 SDS

87240-07-1Relevant articles and documents

NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS

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Paragraph 0237; 0240-0241, (2014/06/11)

This invention relates to novel compounds which are inhibitors of acyl coenzyme A: diacylglycerol acyltransferase 1 (DGAT-1), to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in comb

NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS

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Page/Page column 50, (2014/06/11)

This invention relates to novel compounds which are inhibitors of acyl coenzyme A: diacylglycerol acyltransferase 1 (DGAT-1 ), to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy, alone or in combination with weight management therapies or other triglyceride lowering therapy for the prevention or treatment of diseases related to DGAT-1 dysfunction or where modulation of DGAT-1 activity may have therapeutic benefit.

SPECIFICALLY DEUTERATED AND TRITIATED AUXINS

Melhado, L. Lee,Pearce, Cedric J.,d'Alarcao, Marc,Leonard, Nelson J.

, p. 2879 - 2886 (2007/10/02)

Regiospecific synthesis of monodeuterated and monotritiated natural auxin (indole-3-acetic acid), a synthetic auxin (naphthalene-1-acetic acid) and a photoaffinity labeling auxin (5-azidoindole-3-acetic acid) are described.These synthesis provide benzene-ring tritiated auxins for use in reversible and covalent binding studies. - Key Word Index: Auxin; azido auxin; indole-3-acetic acid; 5-azidoindole-3-acetic acid; napthalene-1-acetic acid; radiolabeling; photoaffinity labeling; synthesis.

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