2-Nitrophenetole - ≥98%(GC) , CAS No.610-67-3

CAS: 610-67-3 Cat. No.: N159208 分子式: C₈H₉NO₃ 分子量: 167.16

GRADE & PURITY ≥98%(GC)

Synonyms

PHENETOLE, o-NITRO- | CCRIS 2331 | AI3-00232 | NITROPHENETOLE, O- | N0489 | W-109570 | SCHEMBL2436211 | MFCD00053603 | NSC5404 | A833029 | o-Nitrophenetole | AS-56771 | Q27286833 | AKOS006228945 | UNII-Q0268PNU8K | XGLGESCVNJSAQY-UHFFFAOYSA-N | 1-Ethoxy-2

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

PHENETOLE, o-NITRO- | CCRIS 2331 | AI3-00232 | NITROPHENETOLE, O- | N0489 | W-109570 | SCHEMBL2436211 | MFCD00053603 | NSC5404 | A833029 | o-Nitrophenetole | AS-56771 | Q27286833 | AKOS006228945 | UNII-Q0268PNU8K | XGLGESCVNJSAQY-UHFFFAOYSA-N | 1-Ethoxy-2

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

純度

≥98%(GC)

名前と識別子

カノニカル・スマイル

CCOC1=CC=CC=C1[N+](=O)[O-]

IUPAC Name

1-ethoxy-2-nitrobenzene

InChIKey

XGLGESCVNJSAQY-UHFFFAOYSA-N

INCHI

1S/C8H9NO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3

異性体SMILES

CCOC1=CC=CC=C1[N+](=O)[O-]

RTECS

SI7942000

分子量

167.16

Reaxy-Rn

2047308

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047308&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene 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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.54
• 沸点（°C）: 275°C(lit.)
• 融点（°C）: 4 °C
• 分子量: 167.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

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 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 610-67-3, the molecular formula is C8H9NO3, and the molecular weight is 167.16 g/mol. InChIKey XGLGESCVNJSAQY-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.