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5-Bromothiophene-3-carboxaldehyde - 98%, high purity , CAS No.18791-79-2

COA

Grade & Purity:

≥98%

Cas Number: 18791-79-2
Molecular Weight: 191.05
PubChem CID: 12284894

In stock

Item Number

B168162

Grouped product items
SKU	Size	Availability	Price	Qty
B168162-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$330.90

Basic Description

Synonyms	5-bromothiophene-3-carbaldehyde \| 18791-79-2 \| 2-Bromothiophen-4-aldehyde \| 5-BROMO-THIOPHENE-3-CARBALDEHYDE \| 5-BROMOTHIOPHENE-3-CARBOXALDEHYDE \| 3-THIOPHENECARBOXALDEHYDE, 5-BROMO- \| MFCD09042555 \| 5-Bromo-3-thiophenecarbaldehyde \| 5-bromo-3-thiophenecarboxaldehyde \| 2-B
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Aryl-aldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes
Direct Parent	Aryl-aldehydes
Alternative Parents	Aryl bromides Thiophenes Heteroaromatic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-aldehyde - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	5-bromothiophene-3-carbaldehyde
INCHI	InChI=1S/C5H3BrOS/c6-5-1-4(2-7)3-8-5/h1-3H
InChIKey	ZKLBPUYMTHPNOQ-UHFFFAOYSA-N
Smiles	C1=C(SC=C1C=O)Br
Isomeric SMILES	C1=C(SC=C1C=O)Br
Molecular Weight	191.05
Reaxy-Rn	4369766
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4369766&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.050 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	189.909 Da
Monoisotopic Mass	189.909 Da
Topological Polar Surface Area	45.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	96.400
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

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