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6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one is a heterocyclic chemical compound with the molecular formula C8H5ClN4O. It features two fused pyrimidine rings, a chlorine atom, and a carbonyl group. 6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one serves as a valuable building block for the synthesis of various bioactive compounds and has potential applications in the development of pharmaceuticals and agrochemicals. Its versatile properties make it an important compound in medicinal and chemical research across different fields of science and industry.

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  • 189747-31-7 Structure
  • Basic information

    1. Product Name: 6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one
    2. Synonyms: 6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one;6-chloro-3H,4H-pyriMido[5,4-d][1,3]diazin-4-one
    3. CAS NO:189747-31-7
    4. Molecular Formula: C6H3ClN4O
    5. Molecular Weight: 182.57
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 189747-31-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 458.567°C at 760 mmHg
    3. Flash Point: 231.133°C
    4. Appearance: /
    5. Density: 1.872g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.829
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: 6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one(189747-31-7)
    12. EPA Substance Registry System: 6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one(189747-31-7)
  • 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: 189747-31-7(Hazardous Substances Data)

189747-31-7 Usage

Uses

Used in Pharmaceutical Development:
6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one is used as a key intermediate in the synthesis of pharmaceuticals for its potential to contribute to the development of new drugs with diverse therapeutic effects.
Used in Agrochemical Synthesis:
In the agrochemical industry, 6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one is utilized as a precursor in the creation of agrochemicals, helping to develop compounds that can protect crops and enhance agricultural productivity.
Used in Organic Synthesis:
6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one is employed as a versatile precursor in organic synthesis, allowing for the preparation of a wide range of chemical structures that can be applied in various scientific and industrial applications.
Used in Medicinal Research:
6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one is used as a research tool in medicinal chemistry to explore its potential in the treatment of various diseases, given its unique structural features and reactivity.
Used in Chemical Research:
6-Chloropyrimido[5,4-d]pyrimidin-4(3H)-one is utilized in chemical research to study its properties and reactions, contributing to the understanding of heterocyclic chemistry and its implications in material and life sciences.

Check Digit Verification of cas no

The CAS Registry Mumber 189747-31-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,9,7,4 and 7 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 189747-31:
(8*1)+(7*8)+(6*9)+(5*7)+(4*4)+(3*7)+(2*3)+(1*1)=197
197 % 10 = 7
So 189747-31-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H3ClN4O/c7-6-8-1-3-4(11-6)5(12)10-2-9-3/h1-2H,(H,9,10,12)

189747-31-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-chloro-1H-pyrimido[5,4-d]pyrimidin-4-one

1.2 Other means of identification

Product number -
Other names QC-5627

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:189747-31-7 SDS

189747-31-7Relevant articles and documents

Tyrosine kinase inhibitors. 12. Synthesis and structure-activity relationships for 6-substituted 4-(phenylamino)pyrimido[5,4-d]pyrimidines designed as inhibitors of the epidermal growth factor receptor

Rewcastle, Gordon W.,Bridges, Alexander J.,Fry, David W.,Rubin, J. Ronald,Denny, William A.

, p. 1820 - 1826 (1997)

A series of 6-substituted 4-anilinopyrimido[5,4-d]pyrimidines has been prepared and shown to be potent inhibitors of the tyrosine kinase activity of the epidermal growth factor receptor (EGFR). These compounds are structurally related to the pyrido[3,2-d]

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