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2-(Chloromethyl)nicotinonitrile, with the molecular formula C8H6ClN2, is a white to off-white crystalline powder. It has a melting point of 54-58°C and is a versatile intermediate in organic synthesis. This chemical compound serves as a building block in the synthesis of pharmaceuticals and agrochemicals, making it a valuable component in the development of various compounds.

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  • 848774-96-9 Structure
  • Basic information

    1. Product Name: 2-(CHLOROMETHYL)NICOTINONITRILE
    2. Synonyms: 2-(CHLOROMETHYL)NICOTINONITRILE;2-(Chloromethyl)-3-cyanopyridine;2-(ChloroMethyl)pyridine-3-carbonitrile
    3. CAS NO:848774-96-9
    4. Molecular Formula: C7H5ClN2
    5. Molecular Weight: 152.58
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 848774-96-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 254.4±25.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.26
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 0.27±0.22(Predicted)
    10. CAS DataBase Reference: 2-(CHLOROMETHYL)NICOTINONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(CHLOROMETHYL)NICOTINONITRILE(848774-96-9)
    12. EPA Substance Registry System: 2-(CHLOROMETHYL)NICOTINONITRILE(848774-96-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 848774-96-9(Hazardous Substances Data)

848774-96-9 Usage

Uses

Used in Pharmaceutical Industry:
2-(Chloromethyl)nicotinonitrile is used as a key building block for the synthesis of various pharmaceuticals. Its unique structure allows for the creation of a wide range of medicinal compounds, contributing to the development of new treatments and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(Chloromethyl)nicotinonitrile is utilized as an essential intermediate in the production of agrochemicals. Its role in the synthesis of these compounds helps to improve crop protection and enhance agricultural productivity.
As a Hazardous Chemical:
2-(Chloromethyl)nicotinonitrile is considered a hazardous chemical and should be handled with caution. It can cause skin and eye irritation, and may be harmful if inhaled or ingested. Proper safety measures and handling procedures must be followed to minimize potential risks during its use in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 848774-96-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,4,8,7,7 and 4 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 848774-96:
(8*8)+(7*4)+(6*8)+(5*7)+(4*7)+(3*4)+(2*9)+(1*6)=239
239 % 10 = 9
So 848774-96-9 is a valid CAS Registry Number.

848774-96-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(Chloromethyl)nicotinonitrile

1.2 Other means of identification

Product number -
Other names 2-(chloromethyl)pyridine-3-carbonitrile

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:848774-96-9 SDS

848774-96-9Downstream Products

848774-96-9Relevant articles and documents

8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES, THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS

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Page/Page column 4, (2008/06/13)

The invention relates to 8-[3-amino-piperidin-1-yl]-xanthines and the physiologically acceptable salts thereof, particularly the hydrochlorides thereof.

METHOD FOR PRODUCING CHIRAL 8-(3-AMINO-PIPERIDIN-1-YL)-XANTHINES

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

The invention relates to an improved method for producing enantiomer-free 8-(3-amino-piperidin-1-yl)-xanthines.

8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR

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Page/Page column 41, (2008/06/13)

The invention relates to substituted xanthines of general formula (I), wherein R is such as defined in claim 1, and to the tautomers, stereoisomers, mixtures and the salts thereof, said products exhibiting precious pharmacological properties, in particular an inhibiting effect on a dipeptidylpeptidasa-IV (DPP-IV) enzyme activity.

Discovery of functionally selective 7,8,9,10-tetrahydro-7,10-ethano-1,2,4- triazolo[3,4-a]phthalazines as GABAA receptor agonists at the α3 subunit

Russell, Michael G. N.,Carling, Robert W.,Atack, John R.,Bromidge, Frances A.,Cook, Susan M.,Hunt, Peter,Isted, Catherine,Lucas, Matt,McKernan, Ruth M.,Mitchinson, Andrew,Moore, Kevin W.,Narquizian, Robert,Macaulay, Alison J.,Thomas, David,Thompson, Sally-Anne,Wafford, Keith A.,Castro, José L.

, p. 1367 - 1383 (2007/10/03)

We have previously identified the 7,8,9,10-tetrahydro-7,10-ethano-1,2,4- triazolo[3,4-a]phthalazine (1) as a potent partial agonist for the 0.3 receptor subtype with 5-fold selectivity in binding affinity over α1. This paper describes a detailed investigation of the substituents on this core structure at both the 3- and 6-positions. Despite evaluating a wide range of groups, the maximum selectivity that could be achieved in terms of affinity for the α3 subtype over the α1 subtype was 12-fold (for 57). Although most analogues showed no selectivity in terms of efficacy, some did show partial agonism at α1 and antagonism at α3 (e.g., 25 and 75). However, two analogues tested (93 and 96), both with triazole substituents in the 6-position, showed significantly higher efficacy for the α3 subtype over the α1 subtype. This was the first indication that selectivity in efficacy in the required direction could be achieved in this series.

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