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2-Methylpyrimidine-4-carboxaldehyde is a chemical compound belonging to the pyrimidine family, characterized by its molecular formula C6H6N2O. It is a yellow to brown liquid with a pungent odor and is known for its high flammability. 2-Methylpyrimidine-4-carboxaldehyde serves as a versatile building block in the synthesis of pharmaceuticals and agrochemicals.

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  • 1004-17-7 Structure
  • Basic information

    1. Product Name: 2-Methylpyrimidine-4-carboxaldehyde
    2. Synonyms: 2-Methylpyrimidine-4-carboxaldehyde;2-METHYL-PYRIMIDINE-4-CARBALDEHYDE;4-Pyrimidinecarboxaldehyde, 2-methyl- (7CI,8CI,9CI);2-metylpyrimidine-4-carbaldehyde;2-Methyl-4-pyrimidinecarboxaldehyde
    3. CAS NO:1004-17-7
    4. Molecular Formula: C6H6N2O
    5. Molecular Weight: 122.12464
    6. EINECS: N/A
    7. Product Categories: PYRIMIDINE;Pyrimidine series;Heterocycle-Pyrimidine series
    8. Mol File: 1004-17-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 213.728 °C at 760 mmHg
    3. Flash Point: 84.976 °C
    4. Appearance: /
    5. Density: 1.176 g/cm3
    6. Vapor Pressure: 0.162mmHg at 25°C
    7. Refractive Index: 1.569
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 0.16±0.23(Predicted)
    11. CAS DataBase Reference: 2-Methylpyrimidine-4-carboxaldehyde(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Methylpyrimidine-4-carboxaldehyde(1004-17-7)
    13. EPA Substance Registry System: 2-Methylpyrimidine-4-carboxaldehyde(1004-17-7)
  • 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: 1004-17-7(Hazardous Substances Data)

1004-17-7 Usage

Uses

Used in Pharmaceutical Industry:
2-Methylpyrimidine-4-carboxaldehyde is used as an intermediate in the synthesis of various pharmaceuticals, particularly for the development of antiviral and anticancer drugs. Its unique chemical structure allows for the creation of novel therapeutic agents that can target specific biological pathways.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Methylpyrimidine-4-carboxaldehyde is utilized as a key intermediate in the production of pesticides and herbicides. Its incorporation into these compounds enables the development of effective solutions for pest and weed control, contributing to improved crop yields and agricultural productivity.
Used in Material Science and Research:
2-Methylpyrimidine-4-carboxaldehyde also has potential applications in the development of new materials and compounds for various industrial and scientific purposes. Its unique properties and reactivity make it a valuable component in the synthesis of advanced materials with specific functionalities and applications in diverse fields.

Check Digit Verification of cas no

The CAS Registry Mumber 1004-17-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,0 and 4 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1004-17:
(6*1)+(5*0)+(4*0)+(3*4)+(2*1)+(1*7)=27
27 % 10 = 7
So 1004-17-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H6N2O/c1-5-7-3-2-6(4-9)8-5/h2-4H,1H3

1004-17-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Methylpyrimidine-4-carbaldehyde

1.2 Other means of identification

Product number -
Other names 2-methylpyrimidine-4-carbaldehyde

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:1004-17-7 SDS

1004-17-7Relevant articles and documents

SUBSTITUTED 3,4-DIHYDROPYRROLO[1,2-A]PYRAZIN-1 (2H)-ONE DERIVATIVES AS KINASE INHIBITORS

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Page/Page column 173, (2016/10/31)

Compounds of Formula (I) or pharmaceutically-acceptable salts thereof, wherein R1, R2, R3, R4, R5 and R6 have any of the meanings defined hereinbefore in the description, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of cancer are disclosed.

PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS

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Page/Page column 29-30, (2010/10/20)

The invention is based on the discovery that compounds of formula (I) possess high affinity for Alk 5 and/or Alk 4, and can be useful as antagonists thereof for preventing and/or treating numerous diseases, including fibrotic disorders. The invention feat

Pyrimidinylimidazole inhibitors of CSBP/P38 kinase demonstrating decreased inhibition of hepatic cytochrome P450 enzymes

Adams, Jerry L.,Boehm, Jeffrey C.,Kassis, Shouki,Gorycki, Peter D.,Webb, Edward F.,Hall, Ralph,Sorenson, Margaret,Lee, John C.,Ayrton, Andrew,Griswold, Don E.,Gallagher, Timothy F.

, p. 3111 - 3116 (2007/10/03)

Pyrimidine analogs of the pyridinylimidazole class of CSBP/p38 kinase inhibitors were prepared in an effort to reduce the potent inhibition of hepatic cytochrome P450 observed for the pyridinyl compounds. The substitution of pyrimidin-4-yl, 2-methoxypyrimidin-4-yl, or 2- methylaminopyrimidin-4-yl for pyridin-4-yl effectively dissociates CSBP/p38 kinase from P450 inhibition for this series and furthermore achieves an increase in oral activity.

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