2-Hydroxy-4-methyl-5-nitropyridine - ≥98%(GC) , CAS No.21901-41-7

CAS: 21901-41-7 Cat. No.: H123452 분자식: C₆H₆N₂O₃ 분자량: 154.12 Beilstein Registry Number: 136900 EC 번호: 626-040-4

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00010690 | AKOS005257669 | InChI=1/C5H9Si.3C4H9.Sn/c1-5-6(2,3)4;3*1-3-4-2;/h2-4H3;3*1,3-4H2,2H3 | 4-Methyl-5-nitropyridin-2(1H)-one | SCHEMBL801081 | 2-Hydroxy-4-methyl-5-nitropyridine, 98% | 4-Methyl-5-nitro-2-pyridinol | 2-hydroxy-5-nitro-4-methylpy

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

MFCD00010690 | AKOS005257669 | InChI=1/C5H9Si.3C4H9.Sn/c1-5-6(2,3)4;3*1-3-4-2;/h2-4H3;3*1,3-4H2,2H3 | 4-Methyl-5-nitropyridin-2(1H)-one | SCHEMBL801081 | 2-Hydroxy-4-methyl-5-nitropyridine, 98% | 4-Methyl-5-nitro-2-pyridinol | 2-hydroxy-5-nitro-4-methylpy

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488189567

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189567

정식 스마일

CC1=CC(=O)NC=C1[N+](=O)[O-]

IUPAC Name

4-methyl-5-nitro-1H-pyridin-2-one

InChIKey

AIEHUZHKFUNHCJ-UHFFFAOYSA-N

INCHI

1S/C6H6N2O3/c1-4-2-6(9)7-3-5(4)8(10)11/h2-3H,1H3,(H,7,9)

이성체 SMILES

CC1=CC(=O)NC=C1[N+](=O)[O-]

WGK 독일

3

분자량

154.12

Beilstein

136900

Reaxy-Rn

1528339

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1528339&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • 분류 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
• 분류: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridinones Methylpyridines Dihydropyridines Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Dihydropyridine - Methylpyridine - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Lactam - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: 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

Data sources

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

화학 및 물리적 특성

• 녹는점(°C): 188-190°C
• 분자량: 154.120 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.038 Da
• Monoisotopic Mass: 154.038 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 272.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 21901-41-7, the molecular formula is C6H6N2O3, and the molecular weight is 154.12 g/mol. InChIKey AIEHUZHKFUNHCJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.