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Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)-, also known as Diphenyl oxide 5-isobutyric acid, is a chemical compound with the molecular formula C23H29NO. It is a colorless liquid at room temperature and is commonly used as an intermediate in the production of pharmaceuticals and agrochemicals. Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)is also utilized in the synthesis of organic compounds, particularly in the pharmaceutical and chemical industries. Due to its hazardous nature if ingested, inhaled, or absorbed through the skin, it requires careful handling.

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  • SAGECHEM/2-(2-(Benzyloxy)-5-(tert-butyl)phenyl)-2-methylpropanenitrile/SAGECHEM/Manufacturer in China

    Cas No: 1246213-27-3

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  • 1246213-27-3 Structure
  • Basic information

    1. Product Name: Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)-
    2. Synonyms: Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)-;Benzeneacetonitrile, 5-(1,1-diMethylethyl)-alpha,alpha-diMethyl-2-(phenylMethoxy)-;2-(2-(benzyloxy)-5-tert-butylphenyl)-2-Methylpropanenitrile
    3. CAS NO:1246213-27-3
    4. Molecular Formula: C21H25NO
    5. Molecular Weight: 307.4293
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1246213-27-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 430.6±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.021±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)-(1246213-27-3)
    11. EPA Substance Registry System: Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)-(1246213-27-3)
  • 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: 1246213-27-3(Hazardous Substances Data)

1246213-27-3 Usage

Uses

Used in Pharmaceutical Industry:
Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs and medications.
Used in Agrochemical Industry:
Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)is also used as an intermediate in the production of agrochemicals, playing a role in the creation of substances that help protect crops and enhance agricultural productivity.
Used in Chemical Synthesis:
Benzeneacetonitrile, 5-(1,1-diMethylethyl)-α,α-diMethyl-2-(phenylMethoxy)is utilized in the synthesis of organic compounds, particularly in the pharmaceutical and chemical industries, due to its unique chemical properties that facilitate the creation of a wide range of products.

Check Digit Verification of cas no

The CAS Registry Mumber 1246213-27-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,4,6,2,1 and 3 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1246213-27:
(9*1)+(8*2)+(7*4)+(6*6)+(5*2)+(4*1)+(3*3)+(2*2)+(1*7)=123
123 % 10 = 3
So 1246213-27-3 is a valid CAS Registry Number.

1246213-27-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropanenitrile

1.2 Other means of identification

Product number -
Other names -

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:1246213-27-3 SDS

1246213-27-3Relevant articles and documents

MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

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Page/Page column 14-15; 35; 37-38; 45, (2010/10/03)

This invention relates to a compound of Formula I or a pharmaceutically acceptable salt thereof, wherein R is COOH or CH2OH.

PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

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Page/Page column 65; 67-68; 75, (2010/10/03)

The invention provides a process for the preparation of a compound of Formula 1; comprising coupling a carboxylic acid of Formula 2; with an aniline of Formula 3; in the presence of a coupling agent.

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