(4-Methyl-2-nitrophenyl)methanol - ≥97% , CAS No.22996-24-3

CAS: 22996-24-3 Cat. No.: M588273 Peso molecular: 167.16

GRADE & PURITY ≥97%

Synonyms

CL9275 | MFCD08275452 | SY120060 | A840102 | 4-METHYL-2-NITROBENZYLALCOHOL | 4-methyl-2-nitro benzyl alcohol | 2-Nitro-4-methylbenzyl alcohol | FT-0695634 | Z1198176995 | 4-Methyl-2-nitrobenzyl alcohol | SCHEMBL95377 | (4-methyl-2-nitro-phenyl)methanol;(2

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

CL9275 | MFCD08275452 | SY120060 | A840102 | 4-METHYL-2-NITROBENZYLALCOHOL | 4-methyl-2-nitro benzyl alcohol | 2-Nitro-4-methylbenzyl alcohol | FT-0695634 | Z1198176995 | 4-Methyl-2-nitrobenzyl alcohol | SCHEMBL95377 | (4-methyl-2-nitro-phenyl)methanol;(2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504771221
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771221
• Sonrisas canónicas: CC1=CC(=C(C=C1)CO)[N+](=O)[O-]
• IUPAC Name: (4-methyl-2-nitrophenyl)methanol
• InChIKey: QNJCSIZDJFUHBA-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-4,10H,5H2,1H3
• Isómeros SMILES: CC1=CC(=C(C=C1)CO)[N+](=O)[O-]
• Peso molecular: 167.16
• Reaxy-Rn: 3031140
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3031140&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitrotoluenes Nitroaromatic compounds Benzyl alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitrotoluene - Benzyl alcohol - Nitroaromatic compound - Toluene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Organic salt - Organic zwitterion - Aromatic alcohol - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Propiedades químicas y físicas

• Peso molecular: 167.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 166.000
• 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