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8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid is a synthetic benzoquinolizine compound, a class of polycyclic aromatic organic molecules characterized by the fusion of a benzene ring to a quinolizine moiety. This specific chemical features a carboxylic acid group (-COOH), two fluorine atoms, and a methyl group (-CH3), and is not found in nature but must be created through laboratory synthesis. Its applications, toxicological profile, and other properties are subject to ongoing research and experimentation, as they are not immediately apparent from its chemical structure.

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  • 8,9-Difluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid

    Cas No: 80076-47-7

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  • 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid

    Cas No: 80076-47-7

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  • 80076-47-7 Structure
  • Basic information

    1. Product Name: 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid
    2. Synonyms: 8,9-DIFLUORO-5-METHYL-6,7-DIHYDRO-1-OXO-1H,5H-BENZO[I,J]QUINOLIZINE-2-CARBOXYLIC ACID;NADI;(+,-)-8,9-DIFLUORO-5-METHYL-6,7-DIHYDRO-1-OXO-1H,5H-BENZO[I,J]QUINOLINE-2-CARBOXYLIC ACID;()-8,9-DIFLUORO-5-METHYL-6,7-DIHYDRO-1-OXO-1H,5H-BNEZO[I,J]QUINOLIZINE-2-CARBOXYLIC ACID;7,8-Difluoro-5,6-dihydro-4-methyl-1-oxo-4H-3a-aza-1H-phenalene-2-carboxylic acid;8,9-Difluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid;8,9-Difluoro-5-Methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid;1H,5H-Benzo[ij]quinolizine-2-carboxylic acid,8,9-difluoro-6,7-dihydro-5-methyl-1-oxo-
    3. CAS NO:80076-47-7
    4. Molecular Formula: C14H11F2NO3
    5. Molecular Weight: 279.24
    6. EINECS: N/A
    7. Product Categories: NADIFLOXACIN;(intermediate of nadifloxacin)
    8. Mol File: 80076-47-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 460.7 °C at 760 mmHg
    3. Flash Point: 232.4 °C
    4. Appearance: /
    5. Density: 1.51
    6. Vapor Pressure: 2.78E-09mmHg at 25°C
    7. Refractive Index: 1.626
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 5.16±0.40(Predicted)
    11. CAS DataBase Reference: 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid(80076-47-7)
    13. EPA Substance Registry System: 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid(80076-47-7)
  • 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: 80076-47-7(Hazardous Substances Data)

80076-47-7 Usage

Uses

Used in Pharmaceutical Industry:
8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid is used as a potential pharmaceutical agent for [application reason]. Its unique structure and functional groups may offer specific biological activities that can be harnessed for therapeutic purposes, such as targeting particular receptors or enzymes involved in disease processes.
Used in Chemical Research:
In the field of chemical research, 8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid serves as a subject for studying the synthesis and properties of benzoquinolizine derivatives. It can provide insights into the reactivity, stability, and potential applications of similar compounds in various chemical and material science domains.
Used in Material Science:
8,9-Difluoro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid may be utilized in material science as a component in the development of new materials with specific properties. Its aromatic and polycyclic nature, along with the presence of fluorine and methyl groups, could contribute to the creation of materials with tailored characteristics for use in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 80076-47-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,0,7 and 6 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 80076-47:
(7*8)+(6*0)+(5*0)+(4*7)+(3*6)+(2*4)+(1*7)=117
117 % 10 = 7
So 80076-47-7 is a valid CAS Registry Number.
InChI:InChI=1/C14H11F2NO3/c1-6-2-3-7-11(16)10(15)4-8-12(7)17(6)5-9(13(8)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)

80076-47-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 8,9-Difluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylic acid

1.2 Other means of identification

Product number -
Other names 80076-47-7

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:80076-47-7 SDS

80076-47-7Downstream Products

80076-47-7Relevant articles and documents

ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES

-

Page column 83; 84, (2010/02/06)

Compounds of the following formula (I) are effective antimicrobial agents.

A practical synthesis of (S)-(-)-nadifloxacin: Novel acid-catalyzed racemization of tetrahydroquinaldine derivative

Hashimoto, Koji,Okaichi, Yoshihiko,Nomi, Daisuke,Miyamoto, Hisashi,Bando, Masahiko,Kido, Masaru,Fujimura, Tsutomu,Furuta, Takuya,Minamikawa, Jun-Ichi

, p. 642 - 645 (2007/10/03)

(S)-(-)-Nadifloxacin [(S)-(-)-9-fluro-6,7-dihydro-8-(4-hyroxy-1- piperidyl)-5-methyl-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid, (S)- (-)-OPC-7251], an antibacterial agent, was synthesized from (S)-(-)-5,6- difluoro-2-methyl-1,2,3,4-tetrahydroquinoline (DFTQ), which was prepared by the optical resolution of racemic DFTQ with 2,3-di-O-benzoyl-L-tartaric acid. Racemization of the undesired enantiomer [(R)-(+)-DFTQ] was studied in the presence of various acids and the best result was obtained in the case of methanesulfonic acid. The absolute configuraton of (-)-nadifloxacin was determined as S by X-ray crystallographic analysis.

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