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Methyl 5-bromo-2-chloropyridine-3-carboxylate is a chemical compound belonging to the pyridine carboxylate ester family, with the molecular formula C7H5BrClNO2. It is characterized by its yellow to brown solid form and a molecular weight of 235.48 g/mol. This versatile compound is known for its ability to participate in various chemical reactions, making it an important building block in organic synthesis and pharmaceutical research.

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  • 78686-79-0 Structure
  • Basic information

    1. Product Name: Methyl 5-bromo-2-chloropyridine-3-carboxylate
    2. Synonyms: METHYL 5-BROMO-2-CHLORONICOTINATE;METHYL 5-BROMO-2-CHLOROPYRIDINE-3-CARBOXYLATE;Methyl 5-bromo-2-chloronicotinate 98%;methyl 5-bromo-2-chloro-3-pyridinecarboxylate;5-BROMO-2-CHLORONICOTINIC ACID METHYL ESTER;Methyl 5-bromo-2-chloropyridine-3-carboxylate, 5-Bromo-2-chloro-3-(methoxycarbonyl)pyridine;Methyl 5-broMo-2-chloronicotinate, 95+%;5-Bromo-2-chloropyridine-3-carboxylic acid methyl ester
    3. CAS NO:78686-79-0
    4. Molecular Formula: C7H5BrClNO2
    5. Molecular Weight: 250.48
    6. EINECS: N/A
    7. Product Categories: blocks;Bromides;Carboxes;Pyridines;Pyridine;Esters
    8. Mol File: 78686-79-0.mol
  • Chemical Properties

    1. Melting Point: 50-52°C
    2. Boiling Point: 275.6 °C at 760 mmHg
    3. Flash Point: >110 °C
    4. Appearance: /Solid
    5. Density: 1.684 g/cm3
    6. Vapor Pressure: 0.00504mmHg at 25°C
    7. Refractive Index: 1.568
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
    9. Solubility: soluble in Methanol
    10. PKA: -3.78±0.10(Predicted)
    11. Sensitive: Light, Air & Moisture Sensitive
    12. CAS DataBase Reference: Methyl 5-bromo-2-chloropyridine-3-carboxylate(CAS DataBase Reference)
    13. NIST Chemistry Reference: Methyl 5-bromo-2-chloropyridine-3-carboxylate(78686-79-0)
    14. EPA Substance Registry System: Methyl 5-bromo-2-chloropyridine-3-carboxylate(78686-79-0)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 22
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 78686-79-0(Hazardous Substances Data)

78686-79-0 Usage

Uses

Used in Organic Synthesis:
Methyl 5-bromo-2-chloropyridine-3-carboxylate is used as a building block in organic synthesis for its ability to participate in various chemical reactions. Its unique structure allows for the creation of a wide range of new chemical compounds, contributing to the development of novel materials and products.
Used in Pharmaceutical Research:
In the pharmaceutical industry, Methyl 5-bromo-2-chloropyridine-3-carboxylate is used as a key intermediate in the synthesis of various drug candidates. Its versatility in chemical reactions enables the development of new pharmaceutical compounds with potential therapeutic applications.
Used in Medicinal Chemistry:
Methyl 5-bromo-2-chloropyridine-3-carboxylate is employed in medicinal chemistry as a valuable component for the design and synthesis of bioactive molecules. Its unique structural features and reactivity make it a promising candidate for the development of new drugs with improved efficacy and selectivity.
Used in Chemical Research:
In the field of chemical research, Methyl 5-bromo-2-chloropyridine-3-carboxylate is utilized as a model compound to study various chemical reactions and mechanisms. Its reactivity and structural properties provide valuable insights into the behavior of similar compounds and contribute to the advancement of chemical knowledge.
Overall, Methyl 5-bromo-2-chloropyridine-3-carboxylate is a versatile and important chemical compound with a wide range of applications in various industries, including organic synthesis, pharmaceutical research, medicinal chemistry, and chemical research. Its unique properties and reactivity make it a valuable building block for the development of new chemical and pharmaceutical compounds.

Check Digit Verification of cas no

The CAS Registry Mumber 78686-79-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,6,8 and 6 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 78686-79:
(7*7)+(6*8)+(5*6)+(4*8)+(3*6)+(2*7)+(1*9)=200
200 % 10 = 0
So 78686-79-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H5BrClNO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3

78686-79-0 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (H64791)  Methyl 5-bromo-2-chloronicotinate, 98%   

  • 78686-79-0

  • 5g

  • 211.0CNY

  • Detail
  • Alfa Aesar

  • (H64791)  Methyl 5-bromo-2-chloronicotinate, 98%   

  • 78686-79-0

  • 25g

  • 847.0CNY

  • Detail
  • Alfa Aesar

  • (H64791)  Methyl 5-bromo-2-chloronicotinate, 98%   

  • 78686-79-0

  • 100g

  • 3391.0CNY

  • Detail
  • Aldrich

  • (764477)  Methyl 5-bromo-2-chloropyridine-3-carboxylate  97%

  • 78686-79-0

  • 764477-1G

  • 651.69CNY

  • Detail

78686-79-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 5-bromo-2-chloronicotinate

1.2 Other means of identification

Product number -
Other names methyl 5-bromo-2-chloropyridine-3-carboxylate

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:78686-79-0 SDS

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Page/Page column 49; 50; 51, (2014/12/12)

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NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS

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Page/Page column 79, (2012/07/14)

In one aspect, the invention relates to naphthyridinone analogs, derivatives thereof, and related compounds, which are useful as positive allosteric modulators of the metabotropic glutamate receptor subtype 5 (mGluR5); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating neurological and psychiatric disorders associated with glutamate dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS

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Page/Page column 42-43, (2012/07/27)

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Page/Page column 87-88, (2010/09/18)

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