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5-Amino-1-(3-bromophenyl)-4-cyano-3-methylpyrazole - 98%, high purity , CAS No.1072944-89-8

COA

Grade & Purity:

≥98%

Cas Number: 1072944-89-8
Molecular Weight: 277.1
PubChem CID: 46739202

In stock

Item Number

A179171

Grouped product items
SKU	Size	Availability	Price	Qty
A179171-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,199.90
A179171-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,655.90

Discover 5-Amino-1-(3-bromophenyl)-4-cyano-3-methylpyrazole by Aladdin Scientific in 98% for only $1,199.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1072944-89-8 \| 5-Amino-1-(3-bromophenyl)-3-methyl-1H-pyrazole-4-carbonitrile \| 5-AMINO-1-(3-BROMOPHENYL)-4-CYANO-3-METHYLPYRAZOLE \| 5-amino-1-(3-bromophenyl)-3-methylpyrazole-4-carbonitrile \| DTXSID00674826 \| XSB94489 \| MFCD11504941 \| AKOS015854679 \| BS-26129 \| CS-0212436 \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Bromobenzenes Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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	5-amino-1-(3-bromophenyl)-3-methylpyrazole-4-carbonitrile
INCHI	InChI=1S/C11H9BrN4/c1-7-10(6-13)11(14)16(15-7)9-4-2-3-8(12)5-9/h2-5H,14H2,1H3
InChIKey	MMFBOTSACKFHNW-UHFFFAOYSA-N
Smiles	CC1=NN(C(=C1C#N)N)C2=CC(=CC=C2)Br
Isomeric SMILES	CC1=NN(C(=C1C#N)N)C2=CC(=CC=C2)Br
Molecular Weight	277.1
Reaxy-Rn	23796927
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23796927&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	277.120 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	276.001 Da
Monoisotopic Mass	276.001 Da
Topological Polar Surface Area	67.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	300.000
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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