5-Bromo-2,2'-bithiophene-5'-carboxaldehyde - ≥98%(HPLC) , CAS No.110046-60-1

CAS: 110046-60-1 Cat. No.: B153192 Molecular Weight: 273.16 EC Number: 802-471-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

GEO-00396 | 5-Bromo-2,2'-bithiophene-5'-carboxaldehyde | 5'-Bromo-2,2'-bithiophene-5-carboxaldehyde, 97% | 5-BROMO-2,2/'-BITHIOPHENE-5/'-CARBOXALDEHYDE | YSZC1124 | 5-Bromo-2,2'-bithienyl-5-carboxaldehyde | NTHMTYNJFSUBMF-UHFFFAOYSA-N | [2,2'-Bithiophene]

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

GEO-00396 | 5-Bromo-2, 2'-bithiophene-5'-carboxaldehyde | 5'-Bromo-2, 2'-bithiophene-5-carboxaldehyde, 97% | 5-BROMO-2, 2/'-BITHIOPHENE-5/'-CARBOXALDEHYDE | YSZC1124 | 5-Bromo-2, 2'-bithienyl-5-carboxaldehyde | NTHMTYNJFSUBMF-UHFFFAOYSA-N | [2, 2'-Bithiophene]

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504765959
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765959
• Canonical Smiles: C1=C(SC(=C1)C2=CC=C(S2)Br)C=O
• IUPAC Name: 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde
• InChIKey: NTHMTYNJFSUBMF-UHFFFAOYSA-N
• INCHI: 1S/C9H5BrOS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-5H
• Isomeric SMILES: C1=C(SC(=C1)C2=CC=C(S2)Br)C=O
• WGK Germany: 3
• Molecular Weight: 273.16
• Reaxy-Rn: 5000130
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5000130&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Bi- and oligothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Bi- and oligothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Bi- and oligothiophenes
• Alternative Parents: Aryl-aldehydes 2,5-disubstituted thiophenes Aryl bromides Heteroaromatic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bithiophene - 2,5-disubstituted thiophene - Aryl-aldehyde - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
• 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 140-145°C
• Molecular Weight: 273.200 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 271.897 Da
• Monoisotopic Mass: 271.897 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 200.000
• 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