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3-Bromo-1H-pyrrole-2-carbaldehyde - ≥95%, high purity , CAS No.408359-07-9

COA

Grade & Purity:

≥95%

Cas Number: 408359-07-9
Molecular Weight: 174
PubChem CID: 15541240

In stock

Item Number

B728461

Grouped product items
SKU	Size	Availability	Price
B728461-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$496.90
B728461-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$783.90
B728461-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,962.90

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	Substituted pyrroles Aryl bromides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-aldehyde - Aryl bromide - Aryl halide - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous halide - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - 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	3-bromo-1H-pyrrole-2-carbaldehyde
INCHI	InChI=1S/C5H4BrNO/c6-4-1-2-7-5(4)3-8/h1-3,7H
InChIKey	LQCFDVADSYYMLI-UHFFFAOYSA-N
Smiles	C1=CNC(=C1Br)C=O
Isomeric SMILES	C1=CNC(=C1Br)C=O
PubChem CID	15541240
Molecular Weight	174

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	174.000 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	172.948 Da
Monoisotopic Mass	172.948 Da
Topological Polar Surface Area	32.900 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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3-Bromo-1H-pyrrole-2-carbaldehyde - ≥95%, high purity , CAS No.408359-07-9

Basic Description