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(3-nitro-1H-pyrazol-5-yl)methanol - 97%, high purity , CAS No.1844857-53-9

COA

Grade & Purity:

≥97%

Cas Number: 1844857-53-9
PubChem CID: 135636628

In stock

Item Number

M630827

Grouped product items
SKU	Size	Availability	Price
M630827-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$154.90
M630827-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$611.90
M630827-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,222.90

Basic Description

Synonyms	EN300-232604 \| SCHEMBL173914 \| 1000895-25-9 \| AB88019 \| SY246249 \| AKOS005072497 \| MFCD12025912 \| DD-0726 \| (3-nitropyrazol-5-yl)methan-1-ol \| KXBNQNCHAUDZRL-UHFFFAOYSA-N \| AKOS005169574 \| P19078 \| STL415440 \| J-501607 \| MFCD18262399 \| 1844857-53-9 \| W-20
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
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 Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Imidolactam - Azole - Pyrazole - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic salt - Organic zwitterion - Aromatic alcohol - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Alcohol - 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

IUPAC Name	(5-nitro-1H-pyrazol-3-yl)methanol
INCHI	InChI=1S/C4H5N3O3/c8-2-3-1-4(6-5-3)7(9)10/h1,8H,2H2,(H,5,6)
InChIKey	KXBNQNCHAUDZRL-UHFFFAOYSA-N
Smiles	C1=C(NN=C1CO)[N+](=O)[O-]
Isomeric SMILES	C1=C(NN=C1CO)[N+](=O)[O-]
Alternate CAS	1000895-25-9
PubChem CID	135636628

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	143.100 g/mol
XLogP3	-0.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	143.033 Da
Monoisotopic Mass	143.033 Da
Topological Polar Surface Area	94.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134.000
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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