1-Ethynyl-2-methoxy-4-nitrobenzene - ≥97% , CAS No.1135283-10-1

CAS: 1135283-10-1 Cat. No.: E189767 Formule: C₉H₇NO₃ Poids moléculaire: 177.16

GRADE & PURITY ≥97%

Synonyms

A894353 | A1-19377 | 1135283-10-1 | C71444 | AKOS005071699 | 1-ethynyl-2-methoxy-4-nitrobenzene | DTXSID701296934 | SCHEMBL1359566 | IYZORHPOENKIKL-UHFFFAOYSA-N | AD-0796 | MFCD11840985 | EN300-1999384 | Benzene, 1-ethynyl-2-methoxy-4-nitro-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

A894353 | A1-19377 | 1135283-10-1 | C71444 | AKOS005071699 | 1-ethynyl-2-methoxy-4-nitrobenzene | DTXSID701296934 | SCHEMBL1359566 | IYZORHPOENKIKL-UHFFFAOYSA-N | AD-0796 | MFCD11840985 | EN300-1999384 | Benzene, 1-ethynyl-2-methoxy-4-nitro-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: COC1=C(C=CC(=C1)[N+](=O)[O-])C#C
• IUPAC Name: 1-ethynyl-2-methoxy-4-nitrobenzene
• InChIKey: IYZORHPOENKIKL-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO3/c1-3-7-4-5-8(10(11)12)6-9(7)13-2/h1,4-6H,2H3
• Isomères SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])C#C
• Poids moléculaire: 177.16
• Reaxy-Rn: 20605860
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20605860&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: Nitrophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Acetylides Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Acetylide - 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 - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 177.160 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.043 Da
• Monoisotopic Mass: 177.043 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 237.000
• 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 is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 1135283-10-1, the molecular formula is C9H7NO3, and the molecular weight is 177.16 g/mol. InChIKey IYZORHPOENKIKL-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.