2-Nitro-p-cymene - ≥98% , CAS No.943-15-7

CAS: 943-15-7 Cat. No.: N139466 Summenformel: C₁₀H₁₃NO₂ Molekulargewicht: 179.22 Beilstein Registry Number: 5(4)1064 EG-Nummer: 213-397-2

GRADE & PURITY ≥98%

Synonyms

4-Isopropyl-2-nitrotoluene | Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- | EINECS 213-397-2 | NSC-47147 | AI3-08866 | 1-methyl-2-nitro-4-(propan-2-yl)benzene | AMY14284 | FT-0633169 | Benzene,1-methyl-4-(1-methylethyl)-2-nitro- | UNII-AE93ZW3RQF | 2-Nitr

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Reduction products of 2-nitro-p-cymene are significant dye intermediates
It was used in the synthesis of 5 -isopropyl-8-methylquinoline.It was used as mediator solvent in perchlorate ion-selective electrode with poly(vinyl chloride) matrix membrane on conductive silver-epoxy composite.

Specifications

Synonyme

4-Isopropyl-2-nitrotoluene | Benzene, 1-methyl-4-(1-methylethyl)-2-nitro- | EINECS 213-397-2 | NSC-47147 | AI3-08866 | 1-methyl-2-nitro-4-(propan-2-yl)benzene | AMY14284 | FT-0633169 | Benzene,1-methyl-4-(1-methylethyl)-2-nitro- | UNII-AE93ZW3RQF | 2-Nitr

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488184527
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184527
• Kanonisches Lächeln: CC1=C(C=C(C=C1)C(C)C)[N+](=O)[O-]
• IUPAC Name: 1-methyl-2-nitro-4-propan-2-ylbenzene
• InChIKey: DRKFWQDBPGTSOO-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3
• Isomere SMILES: CC1=C(C=C(C=C1)C(C)C)[N+](=O)[O-]
• WGK Deutschland: 3
• Molekulargewicht: 179.22
• Beilstein: 5(4)1064
• Reaxy-Rn: 2255738
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2255738&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Nitrotoluenes Nitrobenzenes Cumenes 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: P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Nitrobenzene - Nitrotoluene - Phenylpropane - Nitroaromatic compound - Toluene - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.53
• Siedepunkt (°C): 134 °C/15 mmHg
• Molekulargewicht: 179.220 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 186.000
• 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

Referenzen

1. Junling He, Yong Tang, Chiliang Lin, Shaoyun Peng, Stig Pedersen-Bjergaard, Frederik André Hansen, Chen Zhou.  (2024)  Electromembrane extraction of multi-class prohibited/restricted veterinary drugs from food samples – Exploring liquid membrane composition.  FOOD CHEMISTRY,      [PMID:39733624] [10.1016/j.foodchem.2024.142680]

Häufig gestellte Fragen

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 943-15-7, the molecular formula is C10H13NO2, and the molecular weight is 179.22 g/mol. InChIKey DRKFWQDBPGTSOO-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.