3,4-Dibromothiophene - ≥97% , CAS No.3141-26-2

CAS: 3141-26-2 Cat. No.: D101590 Summenformel: C₄H₂Br₂S Molekulargewicht: 241.93 Beilstein Registry Number: 107642 EG-Nummer: 221-546-8

GRADE & PURITY ≥97%

Synonyms

Thiophene,4-dibromo- | AKOS000282034 | BIDD:GT0493 | InChI=1/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2 | DTXSID50185336 | 3,4-bis(bromanyl)thiophene | GEO-00977 | EINECS 221-546-8 | Q-101191 | MFCD00005465 | AC-4900 | PS-7568 | 3,4-DIBROMOTHIOPHENE | 3,4-dibromo-thi

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Double photoionization spectra of 3,4-dibromothiophene has also been investigated by coincidence spectroscopy technique based on electron time-of-flight measurement.
It was used in the preparation of thieno[3,4-b]thiophene. It was aslo used as starting material in the synthesis of alkyl substituted, fused thiophenes.

Specifications

Synonyme

Thiophene,4-dibromo- | AKOS000282034 | BIDD:GT0493 | InChI=1/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2 | DTXSID50185336 | 3,4-bis(bromanyl)thiophene | GEO-00977 | EINECS 221-546-8 | Q-101191 | MFCD00005465 | AC-4900 | PS-7568 | 3,4-DIBROMOTHIOPHENE | 3,4-dibromo-thi

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504752887

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752887

Kanonisches Lächeln

C1=C(C(=CS1)Br)Br

IUPAC Name

3,4-dibromothiophene

InChIKey

VGKLVWTVCUDISO-UHFFFAOYSA-N

INCHI

1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H

Isomere SMILES

C1=C(C(=CS1)Br)Br

WGK Deutschland

3

Molekulargewicht

241.93

Beilstein

107642

Reaxy-Rn

107642

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107642&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Thiophenes Heteroaromatic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.64
• Flammpunkt (°F): 230 °F
• Flammpunkt (°C): 110 °C
• Siedepunkt (°C): 221-222°C
• Schmelzpunkt (°C): 4-5°C
• Molekulargewicht: 241.930 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 241.822 Da
• Monoisotopic Mass: 239.824 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 58.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3141-26-2, the molecular formula is C4H2Br2S, and the molecular weight is 241.93 g/mol. InChIKey VGKLVWTVCUDISO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.