2,4-Dimethyl-6-nitrophenol - ≥98% , CAS No.14452-34-7

CAS: 14452-34-7 Cat. No.: D155949 Formula: C₈H₉NO₃ Peso molecolare: 167.16 Beilstein Registry Number: 6(4)3138 Numero EC: 238-436-0

GRADE & PURITY ≥98%

Synonyms

Oprea1_182616 | 2,4-XYLENOL, 6-NITRO- | 2,4-Dimethyl-6-nitrophenol | 4,6-DIMETHYL-2-NITROPHENOL | BT623LZM9U | DTXSID0065771 | Phenol,2,4-dimethyl-6-nitro- | Z85939520 | Phenol, 2,4-dimethyl-6-nitro- | STK036128 | D2273 | MFCD00191633 | EC-000.1465 | 6-Ni

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Oprea1_182616 | 2,4-XYLENOL, 6-NITRO- | 2,4-Dimethyl-6-nitrophenol | 4,6-DIMETHYL-2-NITROPHENOL | BT623LZM9U | DTXSID0065771 | Phenol,2,4-dimethyl-6-nitro- | Z85939520 | Phenol, 2,4-dimethyl-6-nitro- | STK036128 | D2273 | MFCD00191633 | EC-000.1465 | 6-Ni

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488186247

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186247

Sorrisi canonici

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

IUPAC Name

2,4-dimethyl-6-nitrophenol

InChIKey

KJRCHILWKQLEBC-UHFFFAOYSA-N

INCHI

1S/C8H9NO3/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4,10H,1-2H3

Isomeri SMILES

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

Peso molecolare

167.16

Beilstein

6(4)3138

Reaxy-Rn

2047307

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047307&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: Xylenols Nitrotoluenes Nitrobenzenes m-Xylenes Para cresols Ortho cresols Nitroaromatic compounds 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 - Xylenol - Nitrotoluene - Nitroaromatic compound - M-xylene - Xylene - O-cresol - P-cresol - 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

• Punto di fusione (°C): 71 °C
• Peso molecolare: 167.160 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• 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: 178.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 14452-34-7, the molecular formula is C8H9NO3, and the molecular weight is 167.16 g/mol. InChIKey KJRCHILWKQLEBC-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.