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  • 5122-20-3 Structure
  • Basic information

    1. Product Name: 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE
    2. Synonyms: 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE;Triisopropanloamine;4-TERT-BUTYL-2,6-DIMETHYLIODOBENZENE;5-(t-Butyl)-2-iodo-1,3-dimethylbenzene
    3. CAS NO:5122-20-3
    4. Molecular Formula: C12H17I
    5. Molecular Weight: 288.17
    6. EINECS: 200-158-5
    7. Product Categories: N/A
    8. Mol File: 5122-20-3.mol
    9. Article Data: 3
  • Chemical Properties

    1. Melting Point: 54-57°C
    2. Boiling Point: 272.7 °C at 760 mmHg
    3. Flash Point: 121.2 °C
    4. Appearance: /
    5. Density: 1.367 g/cm3
    6. Vapor Pressure: 0.00998mmHg at 25°C
    7. Refractive Index: 1.55
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. Sensitive: Light Sensitive
    11. CAS DataBase Reference: 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE(5122-20-3)
    13. EPA Substance Registry System: 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE(5122-20-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: 24/25
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5122-20-3(Hazardous Substances Data)

5122-20-3 Usage

Description

5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE, also known as 2-iodo-5-tert-butyl-m-xylene, is an organic compound characterized by the chemical formula C11H15I. It is a crystalline solid that exhibits a white to light yellow color. This substituted aromatic compound features a benzene ring with a tert-butyl group and an iodine atom attached at specific positions, making it a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals.

Uses

Used in Pharmaceutical and Agrochemical Industries:
5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals for its ability to contribute to the formation of complex organic compounds that possess desired biological activities.
Used in Polymer Production:
In the polymer industry, 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE is used as a stabilizer to enhance the properties of polymers during their production process, ensuring stability and improving the end product's performance characteristics.
Used in Organic Synthesis:
5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE serves as a starting material for the synthesis of other complex organic compounds, highlighting its importance in organic chemistry for creating a wide range of chemical products.
It is crucial to handle 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE with care due to its potential hazards if not properly managed, emphasizing the need for safety measures in its application across various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 5122-20-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,2 and 2 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 5122-20:
(6*5)+(5*1)+(4*2)+(3*2)+(2*2)+(1*0)=53
53 % 10 = 3
So 5122-20-3 is a valid CAS Registry Number.
InChI:InChI=1/C12H17I/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,1-5H3

5122-20-3 Well-known Company Product Price

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  • Alfa Aesar

  • (B25195)  5-tert-Butyl-2-iodo-1,3-dimethylbenzene, 97%   

  • 5122-20-3

  • 1g

  • 733.0CNY

  • Detail
  • Alfa Aesar

  • (B25195)  5-tert-Butyl-2-iodo-1,3-dimethylbenzene, 97%   

  • 5122-20-3

  • 5g

  • 2294.0CNY

  • Detail
  • Alfa Aesar

  • (B25195)  5-tert-Butyl-2-iodo-1,3-dimethylbenzene, 97%   

  • 5122-20-3

  • 25g

  • 3907.0CNY

  • Detail

5122-20-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-tert-butyl-2-iodo-1,3-dimethylbenzene

1.2 Other means of identification

Product number -
Other names 5-(TERT-BUTYL)-2-IODO-1,3-DIMETHYLBENZENE

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:5122-20-3 SDS

5122-20-3Upstream product

5122-20-3Relevant articles and documents

Photocatalytic Oxidative Iodination of Electron-Rich Arenes

Narobe, Rok,Düsel, Simon J. S.,Iskra, Jernej,K?nig, Burkhard

supporting information, p. 3998 - 4004 (2019/07/17)

A visible-light-mediated oxidative iodination of electron-rich arenes has been developed. 2.5 mol% of unsubstituted anthraquinone as photocatalyst were used in combination with elementary iodine, trifluoroacetic acid and oxygen as the terminal oxidant. The iodination proceeds upon irradiation in non- or weakly-electron donating solvents (DCM, DCE and benzene) wherein a spectral window in strongly coloured iodine solutions can be observed at around 400 nm. The method provides good to excellent yields (up to 98%) and shows excellent regioselectivity and good functional group tolerance (triple bonds, ketone, ester, amide). Moreover, the photo-iodination was also upscaled to a 5 mmol scale (1.1 g). Mechanistic investigations by intermediate trapping and competition experiments indicate a photocatalytic arene oxidation and the subsequent reaction with iodine as a likely mechanistic pathway. (Figure presented.).

Progressive direct iodination of sterically hindered alkyl substituted benzenes

Stavber, Stojan,Kralj, Petra,Zupan, Marko

, p. 1513 - 1518 (2007/10/03)

Benzene derivatives bearing at least one bulky alkyl group (i-Pr or t-Bu) were selectively and effectively iodinated using elemental iodine activated, by 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (Selectfluor, F-TED

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