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4-Nitro-1,2,3-triazole - ≥95%, high purity , CAS No.84406-63-3

COA

Grade & Purity:

≥95%

Cas Number: 84406-63-3
Molecular Weight: 114.06
MDL number: MFCD00730971
PubChem CID: 278150
PubChem SID: 504758271

In stock

Item Number

D304754

Grouped product items
SKU	Size	Availability	Price
D304754-250mg	250mg	3	$16.90
D304754-1g	1g	3	$41.90
D304754-5g	5g	2	$153.90

Basic Description

Synonyms	4-Nitro-2H-1,2,3-triazole \| 84406-63-3 \| 4-Nitro-1,2,3-triazole \| 14544-45-7 \| 4-nitro-2H-triazole \| 5-nitro-1h-1,2,3-triazole \| 1H-1,2,3-Triazole, 5-nitro- \| 4-nitro-1H-1,2,3-triazole \| 5-Nitro-1,2,3-triazole \| 2H-1,2,3-Triazole, 4-nitro- \| nitrotriazole \| 1H-1,2,3-Triazole,
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Desiccated
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	Imidolactams Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Imidolactam - Azole - 1,2,3-triazole - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organic oxide - 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	504758271
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758271
IUPAC Name	4-nitro-2H-triazole
INCHI	InChI=1S/C2H2N4O2/c7-6(8)2-1-3-5-4-2/h1H,(H,3,4,5)
InChIKey	YXFWFUSVDJIVIV-UHFFFAOYSA-N
Smiles	C1=NNN=C1[N+](=O)[O-]
Isomeric SMILES	C1=NNN=C1[N+](=O)[O-]
Molecular Weight	114.06
Reaxy-Rn	775272
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775272&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2116192	Certificate of Analysis	Sep 09, 2024	D304754
K2116193	Certificate of Analysis	Sep 09, 2024	D304754
K2116228	Certificate of Analysis	Sep 09, 2024	D304754

Chemical and Physical Properties

Molecular Weight	114.060 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	114.018 Da
Monoisotopic Mass	114.018 Da
Topological Polar Surface Area	87.400 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	98.700
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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