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6-NITRO-BENZOOXAZOLE-2-THIOL, with the molecular formula C7H4N2O3S, is a nitroaromatic compound characterized by a benzooxazole ring and a thiol group at the 2-position. This unique structure endows it with a range of biological activities, making it a versatile building block in the synthesis of organic compounds and pharmaceuticals.

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  • 14541-93-6 Structure
  • Basic information

    1. Product Name: 6-NITRO-BENZOOXAZOLE-2-THIOL
    2. Synonyms: IFLAB-BB F1796-0020;6-NITRO-2-BENZOXAZOLETHIOL;6-NITRO-BENZOOXAZOLE-2-THIOL;2-MERCAPTO-6-NITROBENZOXAZOLE;6-Nitro-2-benzoxazolethiol 2-Benzoxazolethiol;6-Nitro-2-benzoxazolinthion
    3. CAS NO:14541-93-6
    4. Molecular Formula: C7H4N2O3S
    5. Molecular Weight: 196.18
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 14541-93-6.mol
  • Chemical Properties

    1. Melting Point: 234-235 °C
    2. Boiling Point: 337.4 °C at 760 mmHg
    3. Flash Point: 157.9 °C
    4. Appearance: /
    5. Density: 1.65 g/cm3
    6. Vapor Pressure: 0.000105mmHg at 25°C
    7. Refractive Index: 1.741
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 8.65±0.20(Predicted)
    11. CAS DataBase Reference: 6-NITRO-BENZOOXAZOLE-2-THIOL(CAS DataBase Reference)
    12. NIST Chemistry Reference: 6-NITRO-BENZOOXAZOLE-2-THIOL(14541-93-6)
    13. EPA Substance Registry System: 6-NITRO-BENZOOXAZOLE-2-THIOL(14541-93-6)
  • 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: 14541-93-6(Hazardous Substances Data)

14541-93-6 Usage

Uses

Used in Pharmaceutical Industry:
6-NITRO-BENZOOXAZOLE-2-THIOL is used as a building block for the synthesis of various pharmaceuticals due to its potential biological activities, such as antimicrobial and anticancer properties. Its presence in drug molecules can contribute to enhanced therapeutic effects and target specific biological pathways.
Used in Organic Synthesis:
6-NITRO-BENZOOXAZOLE-2-THIOL is used as a reagent in chemical reactions, particularly for the formation of carbon-sulfur bonds. Its chemical structure and properties make it a valuable tool for scientists and researchers in the field of organic synthesis, enabling the creation of novel compounds with diverse applications.
Used in Medicinal Chemistry:
In the realm of medicinal chemistry, 6-NITRO-BENZOOXAZOLE-2-THIOL is utilized for its potential to be incorporated into drug molecules, enhancing their efficacy and selectivity. Its unique structure allows for the development of new therapeutic agents with improved pharmacological profiles.
Overall, 6-NITRO-BENZOOXAZOLE-2-THIOL's diverse applications across various industries highlight its importance as a key component in the development of new pharmaceuticals, organic compounds, and chemical reagents. Its unique properties and potential for further research make it a promising candidate for future scientific advancements.

Check Digit Verification of cas no

The CAS Registry Mumber 14541-93-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,4,5,4 and 1 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 14541-93:
(7*1)+(6*4)+(5*5)+(4*4)+(3*1)+(2*9)+(1*3)=96
96 % 10 = 6
So 14541-93-6 is a valid CAS Registry Number.
InChI:InChI=1/C7H4N2O3S/c10-9(11)4-1-2-5-6(3-4)12-7(13)8-5/h1-3H,(H,8,13)

14541-93-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 6-nitro-3H-1,3-benzoxazole-2-thione

1.2 Other means of identification

Product number -
Other names 6-Nitro-2-benzoxazolinthion

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:14541-93-6 SDS

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