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4-bromo-3-nitro-1H-pyrazole - 97%, high purity , CAS No.89717-64-6

COA

Grade & Purity:

≥97%

Cas Number: 89717-64-6
Molecular Weight: 191.972
PubChem CID: 606370
PubChem SID: 488190679

In stock

Item Number

B178078

Grouped product items
SKU	Size	Availability	Price
B178078-100mg	100mg	3	$15.90
B178078-250mg	250mg	3	$32.90
B178078-1g	1g	3	$59.90
B178078-5g	5g	4	$191.90
B178078-25g	25g	2	$859.90

Basic Description

Synonyms	4-Bromo-3-nitro-1H-pyrazole \| 89717-64-6 \| 4-bromo-5-nitro-1H-pyrazole \| 4-bromo-3-nitropyrazole \| MFCD01114992 \| 1H-Pyrazole, 4-bromo-3-nitro- \| bromonitropyrazole \| Pyrazole, 4-bromo-3-nitro- \| SCHEMBL319993 \| SCHEMBL20449351 \| AMY5867 \| DTXSID40345684 \| 4-Bromo-3-nitro-1H-pyr
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light
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 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	C-nitro compounds
Direct Parent	Nitroaromatic compounds
Alternative Parents	Aryl bromides Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Aryl bromide - Aryl halide - Azole - Pyrazole - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic zwitterion - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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

Pubchem Sid	488190679
IUPAC Name	4-bromo-5-nitro-1H-pyrazole
INCHI	InChI=1S/C3H2BrN3O2/c4-2-1-5-6-3(2)7(8)9/h1H,(H,5,6)
InChIKey	WEQNDTYVEHMMMX-UHFFFAOYSA-N
Smiles	C1=NNC(=C1Br)[N+](=O)[O-]
Isomeric SMILES	C1=NNC(=C1Br)[N+](=O)[O-]
Molecular Weight	191.972
Reaxy-Rn	31579233
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31579233&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
F2315183	Certificate of Analysis	Jun 03, 2023	B178078
F2315184	Certificate of Analysis	Jun 03, 2023	B178078
F2315213	Certificate of Analysis	Jun 03, 2023	B178078
F23141358	Certificate of Analysis	Jun 03, 2023	B178078
F2315185	Certificate of Analysis	Jun 03, 2023	B178078
F23141355	Certificate of Analysis	Jun 03, 2023	B178078
F23141357	Certificate of Analysis	Jun 03, 2023	B178078
F23141354	Certificate of Analysis	Jun 03, 2023	B178078
F2315182	Certificate of Analysis	Jun 03, 2023	B178078
F23141351	Certificate of Analysis	Jun 03, 2023	B178078

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	191.970 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	190.933 Da
Monoisotopic Mass	190.933 Da
Topological Polar Surface Area	74.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	125.000
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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