2,4-Dimethyl-5-nitropyridine - ≥96% , CAS No.1074-99-3

CAS: 1074-99-3 Cat. No.: D179293 분자식: C₇H₈N₂O₂ 분자량: 152.15

GRADE & PURITY ≥96%

Synonyms

Pyridine, 2,4-dimethyl-5-nitro- | J-800122 | PS-6148 | SCHEMBL843761 | F0001-2424 | A801735 | SY040568 | FT-0691435 | A801715 | W-200766 | 2,4-Dimethyl-5-nitropyridine | 2,4-dimethyl-5-nitro-pyridine | AMY19396 | MFCD05982051 | 4,6-DIMETHYL-3-NITROPYRIDIN

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

Pyridine, 2,4-dimethyl-5-nitro- | J-800122 | PS-6148 | SCHEMBL843761 | F0001-2424 | A801735 | SY040568 | FT-0691435 | A801715 | W-200766 | 2,4-Dimethyl-5-nitropyridine | 2,4-dimethyl-5-nitro-pyridine | AMY19396 | MFCD05982051 | 4,6-DIMETHYL-3-NITROPYRIDIN

사양 및 순도

≥96%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥96%

이름과 식별자

Pubchem Sid

528755466

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755466

정식 스마일

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

IUPAC Name

2,4-dimethyl-5-nitropyridine

InChIKey

GMAJNANLBOHCAU-UHFFFAOYSA-N

INCHI

1S/C7H8N2O2/c1-5-3-6(2)8-4-7(5)9(10)11/h3-4H,1-2H3

이성체 SMILES

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

분자량

152.15

Reaxy-Rn

128957

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128957&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: Methylpyridines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Methylpyridine - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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): 20.5 °C
• 분자량: 152.150 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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