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5-Bromo-6-chloronicotinonitrile is a synthetic organic chemical compound that features a nicotinonitrile backbone with bromine and chlorine atoms attached. Its structure can be confirmed through scientific methods such as nuclear magnetic resonance (NMR) spectroscopy or X-ray crystallography. As a halogenated nitrile, 5-bromo-6-chloronicotinonitrile exhibits diverse reactivity and serves as a potential intermediate in the synthesis of various organic compounds. Its physical and chemical properties, toxic effects, and potential industrial applications are subjects of interest for researchers in the fields of chemistry and medicinal chemistry.

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  • 71702-01-7 Structure
  • Basic information

    1. Product Name: 5-bromo-6-chloronicotinonitrile
    2. Synonyms: 5-bromo-6-chloronicotinonitrile;3-BroMo-2-chloro-5-cyanopyridine;5-bromo-6-chloropyridine-3-carbonitrile
    3. CAS NO:71702-01-7
    4. Molecular Formula: C6H2BrClN2
    5. Molecular Weight: 217.46
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 71702-01-7.mol
  • Chemical Properties

    1. Melting Point: 156-158°
    2. Boiling Point: 265.6°C at 760 mmHg
    3. Flash Point: 114.4°C
    4. Appearance: /
    5. Density: 1.85g/cm3
    6. Vapor Pressure: 0.00908mmHg at 25°C
    7. Refractive Index: 1.628
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: -4.33±0.10(Predicted)
    11. CAS DataBase Reference: 5-bromo-6-chloronicotinonitrile(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-bromo-6-chloronicotinonitrile(71702-01-7)
    13. EPA Substance Registry System: 5-bromo-6-chloronicotinonitrile(71702-01-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: UN2811
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: IRRITANT
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 71702-01-7(Hazardous Substances Data)

71702-01-7 Usage

Uses

Used in Organic Synthesis:
5-Bromo-6-chloronicotinonitrile is used as a synthetic intermediate for the preparation of other organic compounds. Its unique structure and reactivity make it a valuable building block in the synthesis of complex molecules.
Used in Medicinal Chemistry Research:
Due to its molecular structure, 5-bromo-6-chloronicotinonitrile is used as a research compound in medicinal chemistry. It may serve as a starting point for the development of new pharmaceuticals or as a tool to study the interactions between molecules and biological targets.
Used in Industrial Applications:
5-Bromo-6-chloronicotinonitrile is used as a chemical intermediate in various industrial processes. Its potential applications in the production of specialty chemicals, materials, or pharmaceuticals are areas of ongoing research and development.
Used in Toxicological Studies:
The toxic effects of 5-bromo-6-chloronicotinonitrile are of interest to researchers, as understanding its impact on biological systems can inform the safe handling and use of 5-bromo-6-chloronicotinonitrile in various applications. This knowledge can also contribute to the development of safer alternatives or mitigation strategies.

Check Digit Verification of cas no

The CAS Registry Mumber 71702-01-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,1,7,0 and 2 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 71702-01:
(7*7)+(6*1)+(5*7)+(4*0)+(3*2)+(2*0)+(1*1)=97
97 % 10 = 7
So 71702-01-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H2BrClN2/c7-5-1-4(2-9)3-10-6(5)8/h1,3H

71702-01-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-bromo-6-chloropyridine-3-carbonitrile

1.2 Other means of identification

Product number -
Other names 5-Bromo-6-chloronicotinonitrile

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:71702-01-7 SDS

71702-01-7Relevant articles and documents

OPIOID RECEPTOR ANTAGONISTS

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Page/Page column 43, (2008/06/13)

A compound of the formula (I) (I) wherein the variables X1 to X6, Ra, Rb, R1 to R7 including R3', E, p, j, y, z, A, B and C are as described or a pharmaceutically acceptable salt, solvate, enantiomer, racemate, diastereomer or mixtures thereof, useful for

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