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7613-19-6

5-Nitroquinoline 1-oxide (5-NQO) is a chemical compound with the molecular formula C9H5N2O3. It is an orange-yellow crystalline solid that is soluble in organic solvents such as ethanol and acetone. 5-NQO is a well-known mutagen and carcinogen, which means it can cause changes in the DNA of living organisms and lead to the development of cancer. It is used in scientific research to study the mechanisms of mutagenesis and carcinogenesis, as well as in the development of cancer prevention and treatment strategies. Due to its hazardous nature, 5-NQO is classified as a hazardous substance and requires proper handling and disposal to minimize its potential impact on human health and the environment.

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  • 7613-19-6 Structure

  • Basic information

    1. Product Name: 5-NITROQUINOLINE 1-OXIDE
    2. Synonyms: 5-NITROQUINOLINE 1-OXIDE;5-nitro-1-oxidoquinolin-1-ium
    3. CAS NO:7613-19-6
    4. Molecular Formula: C9H6N2O3
    5. Molecular Weight: 190.16
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 7613-19-6.mol

  • Chemical Properties

    1. Melting Point: 163-164 °C(Solv: toluene (108-88-3))
    2. Boiling Point: 387.6°C at 760 mmHg
    3. Flash Point: 188.2°C
    4. Appearance: /
    5. Density: 1.42g/cm3
    6. Vapor Pressure: 7.25E-06mmHg at 25°C
    7. Refractive Index: 1.659
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: -0.70±0.30(Predicted)
    11. CAS DataBase Reference: 5-NITROQUINOLINE 1-OXIDE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-NITROQUINOLINE 1-OXIDE(7613-19-6)
    13. EPA Substance Registry System: 5-NITROQUINOLINE 1-OXIDE(7613-19-6)

  • 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: 7613-19-6(Hazardous Substances Data)

7613-19-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 7613-19-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,6,1 and 3 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 7613-19:
(6*7)+(5*6)+(4*1)+(3*3)+(2*1)+(1*9)=96
96 % 10 = 6
So 7613-19-6 is a valid CAS Registry Number.
InChI:InChI=1/C9H6N2O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H

7613-19-6SDS

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 5-nitro-1-oxidoquinolin-1-ium

1.2 Other means of identification

Product number -
Other names 5-nitroquinolin-1-ol

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:7613-19-6 SDS

7613-19-6Relevant articles and documents

Nitration of quinoline 1-oxide: Mechanism of regioselectivity

Yokoyama, Akihiro,Ohwada, Tomohiko,Saito, Shinichi,Shudo, Koichi

, p. 279 - 283 (2007/10/03)

The acidity dependence of orientation in the nitration of quinoline 1- oxide was investigated by using the trifluoromethanesulfonic acid (TFSA)- trifluoroacetic acid (TFA) system and the antimony pentafluoride (SbF5)- TFSA system. These systems provide a wider range of acidity than that of aqueous sulfuric acid. Comparison of the behavior of quinoline 1-oxide and 1- methoxyquinolinium triflate in acidic and neutral media demonstrated that O- protonated quinoline 1-oxide is nitrated at the 5- and 8-positions, and the free (unprotonated) molecule is nitrated at the 4-position. This result is consistent with theoretical expectation. It was also discovered that nitration at the 5-position increasingly predominates over that at the 8- position as the acidity is increased.

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