4-Iodo-2-nitroanisole - ≥98% , CAS No.52692-09-8

CAS: 52692-09-8 Cat. No.: I136648 Formula: C₇H₆INO₃ Peso molecolare: 279.04 Numero EC: 678-890-0

GRADE & PURITY ≥98%

Synonyms

4-Iodo-2-nitroanisole | MFCD08060933 | WULXGCDMVLQZBT-UHFFFAOYSA-N | 4-iodo-1-methoxy-2-nitrobenzene | 4-iodo-1-methoxy-2-nitro-benzene | 4-iodanyl-1-methoxy-2-nitro-benzene | DTXSID20482369 | A829205 | FT-0640095 | DS-4063 | 2,6-DIMETHOXYBENZYLALCOHOL |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-Iodo-2-nitroanisole | MFCD08060933 | WULXGCDMVLQZBT-UHFFFAOYSA-N | 4-iodo-1-methoxy-2-nitrobenzene | 4-iodo-1-methoxy-2-nitro-benzene | 4-iodanyl-1-methoxy-2-nitro-benzene | DTXSID20482369 | A829205 | FT-0640095 | DS-4063 | 2,6-DIMETHOXYBENZYLALCOHOL |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488197984

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197984

Sorrisi canonici

COC1=C(C=C(C=C1)I)[N+](=O)[O-]

IUPAC Name

4-iodo-1-methoxy-2-nitrobenzene

InChIKey

WULXGCDMVLQZBT-UHFFFAOYSA-N

INCHI

1S/C7H6INO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3

Isomeri SMILES

COC1=C(C=C(C=C1)I)[N+](=O)[O-]

Peso molecolare

279.04

Reaxy-Rn

2260315

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2260315&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 Iodobenzenes Alkyl aryl ethers Aryl iodides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - 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 - Ether - Organic oxoazanium - Hydrocarbon derivative - Organohalogen compound - Organoiodide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 279.030 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 278.939 Da
• Monoisotopic Mass: 278.939 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 171.000
• 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

Domande frequenti

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.

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 52692-09-8, the molecular formula is C7H6INO3, and the molecular weight is 279.04 g/mol. InChIKey WULXGCDMVLQZBT-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.