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4-Methyl-3-nitro-1H-pyrazole - 97%, high purity , CAS No.38858-90-1

COA

Grade & Purity:

≥97%

Cas Number: 38858-90-1
Molecular Weight: 127.1
PubChem CID: 573422
PubChem SID: 488190380

In stock

Item Number

M193143

Grouped product items
SKU	Size	Availability	Price
M193143-100mg	100mg	3	$10.90
M193143-1g	1g	2	$40.90
M193143-250mg	250mg	4	$15.90
M193143-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$661.90
M193143-5g	5g	1	$146.90

Basic Description

Synonyms	4-Methyl-3-nitro-1H-pyrazole \| 38858-90-1 \| 4-Methyl-5-nitro-1H-pyrazole \| 4-Methyl-3-nitropyrazole \| 1H-Pyrazole, 4-methyl-3-nitro- \| MFCD09701703 \| methylnitropyrazole \| SCHEMBL10400456 \| DTXSID60341486 \| AGGNMPUDFUROJT-UHFFFAOYSA-N \| 4-Methyl-3-nitro-1H-pyrazole # \| BCP2530
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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	Pyrazoles 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 - Azole - Pyrazole - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - 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	488190380
IUPAC Name	4-methyl-5-nitro-1H-pyrazole
INCHI	InChI=1S/C4H5N3O2/c1-3-2-5-6-4(3)7(8)9/h2H,1H3,(H,5,6)
InChIKey	AGGNMPUDFUROJT-UHFFFAOYSA-N
Smiles	CC1=C(NN=C1)[N+](=O)[O-]
Isomeric SMILES	CC1=C(NN=C1)[N+](=O)[O-]
Molecular Weight	127.1
Reaxy-Rn	607951
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607951&ln=

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

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9 results found

Lot Number	Certificate Type	Date	Item
F2327737	Certificate of Analysis	Jun 02, 2023	M193143
F2327741	Certificate of Analysis	Jun 02, 2023	M193143
F2327720	Certificate of Analysis	Jun 02, 2023	M193143
F2327742	Certificate of Analysis	Jun 02, 2023	M193143
F2327732	Certificate of Analysis	Jun 02, 2023	M193143
F2327748	Certificate of Analysis	Jun 02, 2023	M193143
F2327708	Certificate of Analysis	Jun 02, 2023	M193143
F2327728	Certificate of Analysis	Jun 02, 2023	M193143
F2327729	Certificate of Analysis	Jun 02, 2023	M193143

Chemical and Physical Properties

Molecular Weight	127.100 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	127.038 Da
Monoisotopic Mass	127.038 Da
Topological Polar Surface Area	74.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	121.000
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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