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2-Bromo-3-nitrothiphene is a chemical compound that belongs to the class of thiophene, a type of heterocyclic compound characterized by a five-membered ring structure with one sulfur atom and four carbon atoms. As a brominated and nitrated derivative of thiophene, it features bromine and nitro group additions in its molecular structure. 2-Bromo-3-nitrothiphene is primarily used in the field of organic chemistry, particularly for the synthesis of more complex molecules. Its physical and chemical properties, such as melting point, boiling point, and solubility, as well as potential hazards or safety considerations, are important aspects of its overall characterization.

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  • 2161-96-8 Structure
  • Basic information

    1. Product Name: 2-Bromo-3-nitrothiphene
    2. Synonyms: 2-Bromo-3-nitrothiphene;2-BROMO-3-NITROTHIOPHENE;Thiophene, 2-broMo-3-nitro-;-Bromo-3-nitrothiphene
    3. CAS NO:2161-96-8
    4. Molecular Formula: C4H2BrNO2S
    5. Molecular Weight: 208.03318
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 2161-96-8.mol
  • Chemical Properties

    1. Melting Point: 81-83 °C
    2. Boiling Point: 236.8°C at 760 mmHg
    3. Flash Point: 97°C
    4. Appearance: /
    5. Density: 1.945g/cm3
    6. Vapor Pressure: 0.0712mmHg at 25°C
    7. Refractive Index: 1.647
    8. Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 2-Bromo-3-nitrothiphene(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2-Bromo-3-nitrothiphene(2161-96-8)
    12. EPA Substance Registry System: 2-Bromo-3-nitrothiphene(2161-96-8)
  • 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: 2161-96-8(Hazardous Substances Data)

2161-96-8 Usage

Uses

Used in Organic Chemistry:
2-Bromo-3-nitrothiphene is used as a synthetic intermediate for the preparation of more complex molecules. Its unique structure with bromine and nitro groups allows for various chemical reactions and transformations, making it a valuable compound in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Synthesis:
In the pharmaceutical industry, 2-Bromo-3-nitrothiphene is used as a key building block in the synthesis of therapeutic agents. Its reactivity and functional groups enable the creation of diverse drug candidates with potential applications in treating various diseases and medical conditions.
Used in Agrochemical Production:
2-Bromo-3-nitrothiphene is also utilized in the agrochemical sector as a starting material for the development of new pesticides and herbicides. Its chemical properties make it suitable for the creation of compounds that can effectively control pests and weeds in agricultural settings.
Used in Specialty Chemicals:
In the production of specialty chemicals, 2-Bromo-3-nitrothiphene serves as a versatile precursor for the synthesis of compounds with specific applications in various industries. Its unique structure and reactivity contribute to the development of innovative products with tailored properties for use in areas such as materials science, coatings, and dyes.

Check Digit Verification of cas no

The CAS Registry Mumber 2161-96-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,6 and 1 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 2161-96:
(6*2)+(5*1)+(4*6)+(3*1)+(2*9)+(1*6)=68
68 % 10 = 8
So 2161-96-8 is a valid CAS Registry Number.
InChI:InChI=1/C4H2BrNO2S/c5-4-3(6(7)8)1-2-9-4/h1-2H

2161-96-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromo-3-nitrothiophene

1.2 Other means of identification

Product number -
Other names 2-Bromo-3-nitrothiphene

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:2161-96-8 SDS

2161-96-8Relevant articles and documents

New methods for the synthesis of 4H-dithieno[3,2-b:2′,3′-d]pyrrole

F?rtsch, Sebastian,Vogt, Astrid,B?uerle, Peter

, (2017/08/23)

Various alternative methods for the synthesis of 4H-dithieno[3,2-b:2′,3′-d]pyrrole (DTP) starting from commercially available bromothiophene precursors are presented. Crucial steps involve the Cadogan reaction, Ullmann-type C─N couplings, or Buchwald-Hartwig–type aminations to build up the central pyrrole ring of DTP, respectively. The use of ammonia surrogates afforded the fused target heteroacene in overall yields of 33% to 63%, and the corresponding methods are applicable on large scale.

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