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2-Hydroxymethyl-3-methyl-4-nitropyridine - ≥95%, high purity , CAS No.168167-49-5

COA

Grade & Purity:

≥95%

Cas Number: 168167-49-5
Molecular Weight: 168.15
PubChem CID: 9926375

In stock

Item Number

H710416

Grouped product items
SKU	Size	Availability	Price
H710416-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$48.90
H710416-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90
H710416-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$231.90

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	Methylpyridines 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 - Methylpyridine - Pyridine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Alcohol - Hydrocarbon derivative - Organic salt - Organic oxide - Organic zwitterion - Aromatic alcohol - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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	(3-methyl-4-nitropyridin-2-yl)methanol
INCHI	InChI=1S/C7H8N2O3/c1-5-6(4-10)8-3-2-7(5)9(11)12/h2-3,10H,4H2,1H3
InChIKey	YFYLOUJBRSOJSQ-UHFFFAOYSA-N
Smiles	CC1=C(C=CN=C1CO)[N+](=O)[O-]
Isomeric SMILES	CC1=C(C=CN=C1CO)[N+](=O)[O-]
PubChem CID	9926375
Molecular Weight	168.15

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.150 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	168.053 Da
Monoisotopic Mass	168.053 Da
Topological Polar Surface Area	78.900 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169.000
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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