3-Nitro-p-cresol - ≥98% , CAS No.2042-14-0

CAS: 2042-14-0 Cat. No.: N159534 Formula: C₇H₇NO₃ Peso molecolare: 153.14 Beilstein Registry Number: 6411 Numero EC: 218-044-6

QUALITÀ & PUREZZA ≥98%

Synonyms

2(OR 4)-METHYL-3-NITROPHENOL|3-NITRO-P-CRESOL [INCI]|4-Methyl-3-nitrophenol|4-methyl-3-nitro-phenol|3-NITRO-P-CRESOL|4-Hydroxy-1-methyl-2-nitrobenzene|p-Cresol, 3-nitro-|Phenol, 4-methyl-3-nitro-|3-Nitro-p-kresol|4-methyl-5-nitrophenol|3-Nitro-4-methylphenol|2-nitro-4-hydroxy toluene|4-Hydroxy-2-nitrotoluene

Storage

Room temperature

Shipped In

Normal

Panoramica

4-Methyl-3-nitrophenol was used as standard during the determination of nitrophenols.It was used as starting reagent during the synthesis of 1-methyl-2-nitro-4-(tetrahydropyranyloxy)benzene.

Specifiche

Sinonimi

2(OR 4)-METHYL-3-NITROPHENOL | 3-NITRO-P-CRESOL [INCI] | 4-Methyl-3-nitrophenol | 4-methyl-3-nitro-phenol | 3-NITRO-P-CRESOL | 4-Hydroxy-1-methyl-2-nitrobenzene | p-Cresol, 3-nitro- | Phenol, 4-methyl-3-nitro- | 3-Nitro-p-kresol | 4-methyl-5-nitrophenol | 3-Nitro-4-methylphenol | 2-nitro-4-hydroxy toluene | 4-Hydroxy-2-nitrotoluene

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Product Line

N159534-1g

Nomi e identificatori

Pubchem Sid

488182223

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182223

Sorrisi canonici

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

IUPAC Name

4-methyl-3-nitrophenol

InChIKey

BQEXDUKMTVYBRK-UHFFFAOYSA-N

INCHI

1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

153.14

Beilstein

6411

Reaxy-Rn

2046650

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046650&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrotoluenes Nitrobenzenes Para cresols Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Punto di fusione (°C): 77 °C
• Peso molecolare: 153.140 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• 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