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Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-, also known as 2,4-di-tert-butyl-5-nitrophenol, is a chemical compound with the molecular formula C14H20N2O3. It is a derivative of phenol characterized by the presence of two tert-butyl groups at the 2,4 positions and a nitro group at the 5 position. This yellow to orange crystalline solid has a melting point of 73-75°C and is recognized for its use as an intermediate in the synthesis of various chemicals, including pharmaceuticals and agricultural products. Additionally, it serves as a corrosion inhibitor and in the production of dyes and pigments. Due to its toxic nature if ingested or inhaled, it is crucial to handle this chemical with care and adhere to proper safety protocols.

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  • 873055-57-3 Structure
  • Basic information

    1. Product Name: Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-
    2. Synonyms: Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-;2,4-di-tert-butyl-5-nitro-phenol(97%)
    3. CAS NO:873055-57-3
    4. Molecular Formula: C14H21NO3
    5. Molecular Weight: 251.32144
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 873055-57-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 337.9±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.078±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 10.05±0.24(Predicted)
    10. CAS DataBase Reference: Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-(CAS DataBase Reference)
    11. NIST Chemistry Reference: Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-(873055-57-3)
    12. EPA Substance Registry System: Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitro-(873055-57-3)
  • 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: 873055-57-3(Hazardous Substances Data)

873055-57-3 Usage

Uses

Used in Chemical Synthesis:
Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitrois used as an intermediate in the chemical synthesis industry for the production of various compounds. Its unique structure allows it to be a versatile building block in the creation of pharmaceuticals and agricultural products, contributing to the development of new and improved formulations.
Used in Corrosion Inhibition:
In the industrial sector, Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitrois utilized as a corrosion inhibitor. Its ability to protect metal surfaces from corrosion is valuable in various applications, including the maintenance of pipelines, storage tanks, and other metal structures, thereby extending their service life and reducing maintenance costs.
Used in Dyes and Pigments Production:
Phenol, 2,4-bis(1,1-diMethylethyl)-5-nitroalso serves as an intermediate in the production of dyes and pigments. Its chemical properties make it suitable for the synthesis of colorants used in a wide range of industries, such as textiles, plastics, and printing inks, enhancing the color quality and performance of the final products.

Check Digit Verification of cas no

The CAS Registry Mumber 873055-57-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,3,0,5 and 5 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 873055-57:
(8*8)+(7*7)+(6*3)+(5*0)+(4*5)+(3*5)+(2*5)+(1*7)=183
183 % 10 = 3
So 873055-57-3 is a valid CAS Registry Number.

873055-57-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4-ditert-butyl-5-nitrophenol

1.2 Other means of identification

Product number -
Other names HE-0089

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:873055-57-3 SDS

873055-57-3Relevant articles and documents

COMPOUND FOR TREATING CYSTIC FIBROSIS

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Paragraph 0057; 0060, (2021/01/25)

Provided herein is a compound represented by Formula I: or a pharmaceutically acceptable salt, hydrate, solvate or complex thereof. Also provided are pharmaceutical compositions comprising the compound noted above, in combination with a pharmaceutically acceptable excipient.

METHODS OF TREATMENT FOR CYSTIC FIBROSIS

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, (2020/06/05)

This application describes methods of treating cystic fibrosis or a CFTR mediated disease comprising administering Compound I or a pharmaceutically acceptable salt thereof. (I) The application also describes pharmaceutical compositions comprising Compound I or a pharmaceutically acceptable salt thereof and optionally comprising one or more additional CFTR modulating agents.

METHODS OF TREATMENT FOR CYSTIC FIBROSIS

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, (2020/12/11)

This application describes methods of treating cystic fibrosis comprising administering Compound I:, a pharmaceutically acceptable salt thereof, or a pharmaceutical composition comprising any of the foregoing.

COMPOSITIONS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS

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, (2019/01/22)

Compositions comprising Compound I of the formula (I) and methods of treating cystic fibrosis comprising administering Compound I. Compositions comprising a pharmaceutically acceptable salt of Compound I and methods of treating cystic fibrosis comprising administering a pharmaceutically acceptable salt of Compound I.

METHODS OF TREATMENT FOR CYSTIC FIBROSIS

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, (2019/02/06)

Compound I of the formula (I) and/or pharmaceutically acceptable salt(s) of Compound I comprised in a pharmaceutical composition and methods of using the same to treat cystic fibrosis.

METHODS OF TREATMENT FOR CYSTIC FIBROSIS

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, (2019/02/06)

Methods of treating cystic fibrosis comprising administering at least Compound (I) of the formula. Pharmaceutical compositions containing a pharmaceutically acceptable salt of at least Compound I and methods of treating cystic fibrosis comprising administering a pharmaceutically acceptable salt of at least Compound (I).

CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS

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, (2019/05/07)

Crystalline Forms of Compound I: and pharmaceutically acceptable salts thereofare disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.

COMPOSITIONS FOR TREATING CYSTIC FIBROSIS

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, (2019/06/23)

A single tablet comprising Compound I:. Methods of treating cystic fibrosis comprising administering one or more of such single tablets to a patient.

PHARMACEUTICAL COMPOSITIONS FOR TREATING CYSTIC FIBROSIS

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, (2019/08/20)

A pharmaceutical composition comprising Compound I: Methods of treating cystic fibrosis comprising administering one or more of such pharmaceutical compositions to a patient.

CRYSTALLINE FORMS OF MODULATORS OF CFTR

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, (2019/10/19)

Crystalline Forms of Compound (I); crystalline Forms of Compound (II) and crystalline forms of pharmaceutically acceptable salts of any of the foregoing are disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.

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