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CAS

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79966-13-5

4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one, also known as N-methyl-3-nitro-4-chloro-2-quinolone, is a chemical compound with the molecular formula C10H7ClN2O3. It is a yellow crystalline solid that is a derivative of quinoline. 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one features a chlorine atom at the 4 position, a methyl group at the 1 position, and a nitro group at the 3 position of the quinoline ring. It is recognized for its role in the synthesis of pharmaceuticals, agrochemicals, and as a building block in organic chemistry, with ongoing research into its biological activities and pharmacological properties.

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  • 79966-13-5 Structure

  • Basic information

    1. Product Name: 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one
    2. Synonyms: AURORA KA-3191;4-CHLORO-1-METHYL-3-NITRO-1,2-DIHYDROQUINOLIN-2-ONE;4-CHLORO-1-METHYL-3-NITROQUINOLIN-2(1H)-ONE;4-Chloro-1,2-dihydro-1-methyl-3-nitroquinolin-2-one;4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one;4-Chloro-1,2-dihydro-1-methyl-3-nitro-2-oxoquinoline
    3. CAS NO:79966-13-5
    4. Molecular Formula: C10H7ClN2O3
    5. Molecular Weight: 238.63
    6. EINECS: N/A
    7. Product Categories: Halides;Fused Ring Systems
    8. Mol File: 79966-13-5.mol

  • Chemical Properties

    1. Melting Point: 224-227 °C
    2. Boiling Point: 301.9 °C at 760 mmHg
    3. Flash Point: 136.4 °C
    4. Appearance: /
    5. Density: 1.51 g/cm3
    6. Vapor Pressure: 0.00102mmHg at 25°C
    7. Refractive Index: 1.653
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: -2.12±0.40(Predicted)
    11. CAS DataBase Reference: 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one(79966-13-5)
    13. EPA Substance Registry System: 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one(79966-13-5)

  • Safety Data

    1. Hazard Codes: Xi
    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: 79966-13-5(Hazardous Substances Data)

79966-13-5 Usage

Uses

Used in Pharmaceutical Synthesis:
4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Production:
In the agrochemical industry, 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one is utilized as a precursor in the production of pesticides and other agrochemicals, contributing to the development of effective solutions for crop protection.
Used in Organic Chemistry:
4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one serves as a valuable building block in organic chemistry for the preparation of other complex organic compounds. Its versatile structure facilitates the creation of a wide range of chemical entities for research and industrial applications.
Used in Biological Activity and Pharmacological Research:
4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one is studied for its potential biological activities and pharmacological properties. Researchers are exploring its interactions with biological systems to understand its therapeutic potential and possible applications in medicine.

Check Digit Verification of cas no

The CAS Registry Mumber 79966-13-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,9,6 and 6 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 79966-13:
(7*7)+(6*9)+(5*9)+(4*6)+(3*6)+(2*1)+(1*3)=195
195 % 10 = 5
So 79966-13-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3

79966-13-5SDS

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 4-Chloro-1-methyl-3-nitro-1H-quinolin-2-one

1.2 Other means of identification

Product number -
Other names 4-chloro-1-methyl-3-nitroquinolin-2-one

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:79966-13-5 SDS

79966-13-5Relevant articles and documents

Inhibitors of macrophage migration inhibitory factor and methods for identifying the same

-

, (2008/06/13)

Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R1, R2, R3, R4, X, Y and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

SPIROCYCLIC MEISENHEIMER COMPLEXES. XXXV. POSSIBLE FORMATION OF ANIONIC SPIRO ? COMPLEXES IN THE 3-NITRO-2(1H)-QUINOLINONE SYSTEM

Drozd, V. N.,Knyazev, V. N.,Nam, N. L.,Lezina, V. P.,Mozhaeva, T. Ya.,Savel'ev, V. L.

, p. 653 - 658 (2007/10/02)

The reaction of 1-methyl-3-nitro- and 1-methyl-3,6-dinitro-4-chloro-2(1H)-quinolinones with 1,2-ethanedithiol leads to 1-methyl-3-nitro- and 1-methyl-3,6-dinitrospirodithiolanes>.The ability of the latter to form anionic Meisenheimer spiro ? complexes is less than in the analogous derivatives of benzopyranone and benzothiopyranone.

Nucleophilic Substitution and Ring Closure Reactions of 4-Chloro-3-nitro-2-quinolones

Roschger, Peter,Fiala, Werner,Stadlbauer, Wolfgang

, p. 225 - 231 (2007/10/02)

4-Chloro-3-nitro-2-quinolones 3 obtained from the 4-hydroxy quinolones 1 by nitration and chlorination, reacted with sodium azide to the 4-azido derivatives 4 which cyclized on thermolysis to yield the furoxanes 5.Nucleophilic substitution reactions of 3

Methods for the Synthesis of 4-Azido-2(1H)-quinolones

Stadlbauer, Wolfgang

, p. 1305 - 1324 (2007/10/02)

4-Hydroxy-2-quinolones 1 are generally found to be converted to the 4-azidocompounds 3 via the 4-chloroquinolones 2, the 4-tosyloxyquinolones 6, or the 4-aminoquinolones 4, respectively.Choice of the reaction conditions and yields depend on the substituen

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