p-Nitrotoluene Standard - analytical standard, ≥99.5% , CAS No.99-99-0

CAS: 99-99-0 Cat. No.: N118455 Summenformel: C₇H₇NO₂ Molekulargewicht: 137.14 Beilstein Registry Number: 1906911 EG-Nummer: 202-808-0

QUALITÄT & REINHEIT Analytical standard, ≥99.5%

Synonyms

4-NITROPHENYLMETHANE | p-Methylnitrobenzene | 4-Methylnitrobenzene | CCRIS 2313 | NCGC00259015-01 | SCHEMBL7147554 | Z104476692 | p-Nitrotoluene | BS-42204 | EC 202-808-0 | F0001-2342 | NCGC00090790-02 | 4-Nitrotoluene, purum, >=98.0% (GC) | E88IMG14EX |

Storage

Room temperature

Shipped In

FedEx DG Service

Spezifikationen

Synonyme

4-NITROPHENYLMETHANE | p-Methylnitrobenzene | 4-Methylnitrobenzene | CCRIS 2313 | NCGC00259015-01 | SCHEMBL7147554 | Z104476692 | p-Nitrotoluene | BS-42204 | EC 202-808-0 | F0001-2342 | NCGC00090790-02 | 4-Nitrotoluene, purum, >=98.0% (GC) | E88IMG14EX |

Spezifikationen & Reinheit

analytical standard, ≥99.5%

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

Analytischer Standard

Reinheit

≥99.5%

Namen und Kennungen

Pubchem Sid

504751354

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751354

Kanonisches Lächeln

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

IUPAC Name

1-methyl-4-nitrobenzene

InChIKey

ZPTVNYMJQHSSEA-UHFFFAOYSA-N

INCHI

1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3

Isomere SMILES

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

WGK Deutschland

2

RTECS

XT3325000

UN-Nummer

1664

Verpackungsgruppe

II

Molekulargewicht

137.14

Beilstein

1906911

Reaxy-Rn

1906911

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906911&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitrotoluenes 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 - 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 - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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: a small molecule

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

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Plasmodium falciparum (966862 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.5332
• Flammpunkt (°C): 106℃
• Siedepunkt (°C): 238°C
• Schmelzpunkt (°C): 53-54°C
• Molekulargewicht: 137.140 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.048 Da
• Monoisotopic Mass: 137.048 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 99-99-0, the molecular formula is C7H7NO2, and the molecular weight is 137.14 g/mol. InChIKey ZPTVNYMJQHSSEA-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.