3-Bromo-2-nitroanisole - ≥98%(GC) , CAS No.500298-30-6

CAS: 500298-30-6 Cat. No.: B134176 Summenformel: C₇H₆BrNO₃ Molekulargewicht: 232.03 Beilstein Registry Number: 6(4)1363 EG-Nummer: 679-555-1

GRADE & PURITY ≥98%(GC)

Synonyms

3-Bromo-2-nitroanisole | MFCD11101044 | NSC88011 | NSC-88011 | Benzene, 1-bromo-3-methoxy-2-nitro- | AM61557 | NCIOpen2_005349 | FT-0675958 | A871681 | bromonitroanisol | Benzene, 1-bromo-3-methoxynitro- | AKOS015834103 | PS-4756 | 1-Bromo-3-methoxy-2-nit

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

3-Bromo-2-nitroanisole | MFCD11101044 | NSC88011 | NSC-88011 | Benzene, 1-bromo-3-methoxy-2-nitro- | AM61557 | NCIOpen2_005349 | FT-0675958 | A871681 | bromonitroanisol | Benzene, 1-bromo-3-methoxynitro- | AKOS015834103 | PS-4756 | 1-Bromo-3-methoxy-2-nit

Spezifikationen & Reinheit

≥98%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504758169

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758169

Kanonisches Lächeln

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

IUPAC Name

1-bromo-3-methoxy-2-nitrobenzene

InChIKey

ORSPVBUIPTYLLO-UHFFFAOYSA-N

INCHI

1S/C7H6BrNO3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,1H3

Isomere SMILES

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

Molekulargewicht

232.03

Beilstein

6(4)1363

Reaxy-Rn

2524400

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2524400&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 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 - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Siedepunkt (°C): 131 °C/3 mmHg
• Schmelzpunkt (°C): 74 °C
• Molekulargewicht: 232.030 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.953 Da
• Monoisotopic Mass: 230.953 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

Häufig gestellte Fragen

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 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 500298-30-6, the molecular formula is C7H6BrNO3, and the molecular weight is 232.03 g/mol. InChIKey ORSPVBUIPTYLLO-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.