1-Ethyl-2-nitrobenzene solution - analytical standard, 1000ug/ml in methanol , CAS No.612-22-6

CAS: 612-22-6 Cat. No.: N117377 Formule: C₈H₉NO₂ Poids moléculaire: 151.16 Beilstein Registry Number: 1865655 Numéro CE: 210-299-1

QUALITÉ & PURETÉ Analytical standard, 1000ug/ml in methanol

Synonyms

2-Ethylnitrobenzene|612-22-6|1-Ethyl-2-nitrobenzene|o-Ethylnitrobenzene|Ethylnitrobenzene|Benzene, 1-ethyl-2-nitro-|o-Nitroethylbenzene|2-Ethyl-1-nitrobenzene|30179-51-2|DZR8C3N7UE|NSC-5095|1-ethy1-2-nitro-benzene|CCRIS 3099|NSC5095|NSC 5095|EINECS 210-29

Storage

Room temperature

Shipped In

FedEx DG Service

Spécifications

Synonymes

2-Ethylnitrobenzene | 612-22-6 | 1-Ethyl-2-nitrobenzene | o-Ethylnitrobenzene | Ethylnitrobenzene | Benzene, 1-ethyl-2-nitro- | o-Nitroethylbenzene | 2-Ethyl-1-nitrobenzene | 30179-51-2 | DZR8C3N7UE | NSC-5095 | 1-ethy1-2-nitro-benzene | CCRIS 3099 | NSC5095 | NSC 5095 | EINECS 210-29

Spécifications et pureté

analytical standard, 1000ug/ml in methanol

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Analytical standard

Noms et identifiants

Sourires canoniques

CCC1=CC=CC=C1[N+](=O)[O-]

IUPAC Name

1-ethyl-2-nitrobenzene

InChIKey

PXWYZLWEKCMTEZ-UHFFFAOYSA-N

INCHI

1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3

Isomères SMILES

CCC1=CC=CC=C1[N+](=O)[O-]

WGK Allemagne

3

Poids moléculaire

151.16

Beilstein

1865655

Reaxy-Rn

1865655

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1865655&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: 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 - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.5354
• Point d'éclair (°F): 228.2 °F
• Point d'éclair (°C): 109°C
• Point d'ébullition (°C): 172-174 °C/18 mmHg
• Point de fusion (°C): -13--10°C
• Poids moléculaire: 151.160 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• 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: 142.000
• 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

Foire aux questions

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 612-22-6, the molecular formula is C8H9NO2, and the molecular weight is 151.16 g/mol. InChIKey PXWYZLWEKCMTEZ-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.