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(5-Cyano-1-methyl-1H-pyrrol-2-yl)boronic acid - ≥98%, high purity , CAS No.860617-71-6

COA

Grade & Purity:

≥98%

Cas Number: 860617-71-6
Molecular Weight: 149.94
PubChem CID: 11708078

In stock

Item Number

B735740

Grouped product items
SKU	Size	Availability	Price
B735740-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$260.90
B735740-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90
B735740-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,083.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles
      - Level5 N-substituted pyrroles
        Level6 N-methylpyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	N-substituted pyrroles
Direct Parent	N-methylpyrroles
Alternative Parents	Heteroaromatic compounds Boronic acids Organic metalloid salts Nitriles Azacyclic compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-methylpyrrole - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole.
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-cyano-1-methylpyrrol-2-yl)boronic acid
INCHI	InChI=1S/C6H7BN2O2/c1-9-5(4-8)2-3-6(9)7(10)11/h2-3,10-11H,1H3
InChIKey	CMPMUHFINOXALE-UHFFFAOYSA-N
Smiles	B(C1=CC=C(N1C)C#N)(O)O
Isomeric SMILES	B(C1=CC=C(N1C)C#N)(O)O
PubChem CID	11708078
Molecular Weight	149.94

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	149.950 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	150.06 Da
Monoisotopic Mass	150.06 Da
Topological Polar Surface Area	69.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	188.000
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

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