2,5-Dimethylnitrobenzene - ≥98%(GC) , CAS No.89-58-7

CAS: 89-58-7 Cat. No.: D155940 Fórmula: C₈H₉NO₂ Peso molecular: 151.17 Número CE: 201-920-7

GRADE & PURITY ≥98%(GC)

Synonyms

2-Nitro-para-xylene | NCGC00090907-02 | NSC-5591 | 2,5-Dimethylnitrobenzene | BSFHJMGROOFSRA-UHFFFAOYSA- | EINECS 201-920-7 | EN300-102019 | Tox21_200372 | InChI=1/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3 | Q27279552 | 1,4-DIMETHYLNITROBENZENE | 1-N

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Nitro-para-xylene | NCGC00090907-02 | NSC-5591 | 2,5-Dimethylnitrobenzene | BSFHJMGROOFSRA-UHFFFAOYSA- | EINECS 201-920-7 | EN300-102019 | Tox21_200372 | InChI=1/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3 | Q27279552 | 1,4-DIMETHYLNITROBENZENE | 1-N

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488180227

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180227

Sorrisos canónicos

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

IUPAC Name

1,4-dimethyl-2-nitrobenzene

InChIKey

BSFHJMGROOFSRA-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3

SMILES isoméricas

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

RTECS

ZE4686600

Número UN

1665

Grupo de embalagem

II

Peso molecular

151.17

Reaxy-Rn

2045106

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045106&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitrotoluenes p-Xylenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitrotoluene - Nitroaromatic compound - P-xylene - Xylene - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.54
• Ponto de inflamação (°C): 104 °C
• Ponto de ebulição (°C): 104 °C/6 mmHg
• Peso molecular: 151.160 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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

Perguntas frequentes

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 89-58-7, the molecular formula is C8H9NO2, and the molecular weight is 151.17 g/mol. InChIKey BSFHJMGROOFSRA-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.