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1-Amino-4-bromo-1H-pyrrole-2-carbonitrile - ≥98%, high purity , CAS No.937161-86-9

COA

Grade & Purity:

≥98%

Cas Number: 937161-86-9
Molecular Weight: 186.01
PubChem CID: 57955352

In stock

Item Number

A734274

Grouped product items
SKU	Size	Availability	Price	Qty
A734274-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,121.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl bromides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl bromides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl bromides
Alternative Parents	Substituted pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Substituted pyrrole - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
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	1-amino-4-bromopyrrole-2-carbonitrile
INCHI	InChI=1S/C5H4BrN3/c6-4-1-5(2-7)9(8)3-4/h1,3H,8H2
InChIKey	QSDCGMIUSPOHMC-UHFFFAOYSA-N
Smiles	C1=C(N(C=C1Br)N)C#N
Isomeric SMILES	C1=C(N(C=C1Br)N)C#N
PubChem CID	57955352
Molecular Weight	186.01

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.010 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	184.959 Da
Monoisotopic Mass	184.959 Da
Topological Polar Surface Area	54.700 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	150.000
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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1-Amino-4-bromo-1H-pyrrole-2-carbonitrile - ≥98%, high purity , CAS No.937161-86-9

Basic Description