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2-(3-nitrophenoxy)Benzoic acid is a chemical compound characterized by its molecular formula C13H9NO5. It presents as a white to yellow crystalline powder, known for its distinctive chemical structure that features a benzoic acid group fused with a nitrophenyl ring. This structure endows it with unique properties and potential applications across various industries, including the manufacturing of dyes, pharmaceuticals, and agricultural chemicals. Additionally, it is recognized for its anti-inflammatory properties, making it a valuable active ingredient in certain topical ointments and creams.

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  • 6312-86-3 Structure
  • Basic information

    1. Product Name: 2-(3-nitrophenoxy)Benzoic acid
    2. Synonyms: 2-(3-nitrophenoxy)Benzoic acid
    3. CAS NO:6312-86-3
    4. Molecular Formula: C13H9NO5
    5. Molecular Weight: 259.21426
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 6312-86-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 410.5 °C at 760 mmHg
    3. Flash Point: 202.1 °C
    4. Appearance: /
    5. Density: 1.405 g/cm3
    6. Vapor Pressure: 1.79E-07mmHg at 25°C
    7. Refractive Index: 1.636
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-(3-nitrophenoxy)Benzoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-(3-nitrophenoxy)Benzoic acid(6312-86-3)
    12. EPA Substance Registry System: 2-(3-nitrophenoxy)Benzoic acid(6312-86-3)
  • 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: 6312-86-3(Hazardous Substances Data)

6312-86-3 Usage

Uses

Used in Dye Manufacturing:
2-(3-nitrophenoxy)Benzoic acid is used as a key intermediate in the production of dyes, contributing to the coloration and stability of various dye formulations.
Used in Pharmaceutical Industry:
2-(3-nitrophenoxy)Benzoic acid is utilized as an active pharmaceutical ingredient, particularly for its anti-inflammatory properties. It is incorporated into topical ointments and creams to provide relief from inflammation and associated symptoms.
Used in Agricultural Chemicals:
In the agricultural sector, 2-(3-nitrophenoxy)Benzoic acid is employed in the development of agricultural chemicals, potentially enhancing crop protection and yield through its chemical properties.
It is crucial to handle 2-(3-nitrophenoxy)Benzoic acid with caution due to its potential hazards and toxic nature, ensuring safety in its application across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 6312-86-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,1 and 2 respectively; the second part has 2 digits, 8 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 6312-86:
(6*6)+(5*3)+(4*1)+(3*2)+(2*8)+(1*6)=83
83 % 10 = 3
So 6312-86-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H9NO5/c15-13(16)11-6-1-2-7-12(11)19-10-5-3-4-9(8-10)14(17)18/h1-8H,(H,15,16)

6312-86-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(3-nitrophenoxy)benzoic acid

1.2 Other means of identification

Product number -
Other names 2-(3-nitro-phenoxy)-benzoic acid

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:6312-86-3 SDS

6312-86-3Relevant articles and documents

Efficient Aryl Migration from an Aryl Ether to a Carboxylic Acid Group To Form an Ester by Visible-Light Photoredox Catalysis

Wang, Shao-Feng,Cao, Xiao-Ping,Li, Yang

, p. 13809 - 13813 (2017/10/24)

We have developed a highly efficient aryl migration from an aryl ether to a carboxylic acid group through retro-Smiles rearrangement by visible-light photoredox catalysis at ambient temperature. Transition metals and a stoichiometric oxidant and base are avoided in the transformation. Inspired by the high efficiency of this transformation and the fundamental importance of C?O bond cleavage, we developed a novel approach to the C?O cleavage of a biaryl ether to form two phenolic compounds, as demonstrated by a one-pot, two-step gram-scale reaction under mild conditions. The aryl migration exhibits broad scope and can be applied to the synthesis of pharmaceutical compounds, such as guacetisal. Primary mechanistic studies indicate that the catalytic cycle occurs by a reductive quenching pathway.

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