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4-Bromo-1H-pyrrole-2-carbaldehyde - 97%, high purity , CAS No.931-33-9

COA

Grade & Purity:

≥97%

Cas Number: 931-33-9
Molecular Weight: 174.00
EC Number: 850-328-0
PubChem CID: 599627

In stock

Item Number

B590754

Grouped product items
SKU	Size	Availability	Price
B590754-1g	1g	3	$24.90
B590754-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$99.90
B590754-10g	10g	1	$184.90
B590754-25g	25g	1	$408.90

Basic Description

Synonyms	4-Bromo-1H-pyrrole-2-carboxaldehyde \| 4-bromo-2-formylpyrrole \| 4-Bromo-1H-pyrrole-2-carbaldehyde \| PS-3316 \| SY031830 \| BCP05404 \| 4-Bromo-1H-pyrrole-2-carbaldehyde # \| AKOS006230227 \| 4-bromo-2-pyrrolecarboxaldehyde \| Z1201621650 \| MFCD02179586 \| SCHEMB
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Heteroaromatic compounds Azacyclic compounds Organopnictogen 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 - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen 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	4-bromo-1H-pyrrole-2-carbaldehyde
INCHI	InChI=1S/C5H4BrNO/c6-4-1-5(3-8)7-2-4/h1-3,7H
InChIKey	RFQYNGQAZZSGFM-UHFFFAOYSA-N
Smiles	C1=C(NC=C1Br)C=O
Isomeric SMILES	C1=C(NC=C1Br)C=O
Alternate CAS	931-33-9
Molecular Weight	174.00
Reaxy-Rn	1524336
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524336&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
K2310289	Certificate of Analysis	Sep 22, 2023	B590754
K2310295	Certificate of Analysis	Sep 22, 2023	B590754
K2310318	Certificate of Analysis	Sep 22, 2023	B590754
K2310296	Certificate of Analysis	Sep 22, 2023	B590754

Chemical and Physical Properties

Sensitivity	Moisture sensitive；air sensitive
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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