2-Bromo-4-methoxy-6-nitrophenol - ≥98% , CAS No.115929-59-4

CAS: 115929-59-4 Cat. No.: B153136 Formula: C₇H₆BrNO₄ Peso molecolare: 248.03 Numero EC: 601-397-9

GRADE & PURITY ≥98%

Synonyms

AMY37236 | SY112063 | Phenol,2-bromo-4-methoxy-6-nitro- | A803513 | Phenol, 2-bromo-4-methoxy-6-nitro- | AA-0832 | 2-Bromo-4-methoxy-6-nitrobenzenol | FT-0642823 | SCHEMBL4468567 | MFCD06797984 | AKOS005071588 | J-003337 | 2-Bromo-4-methoxy-6-nitrophenol

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AMY37236 | SY112063 | Phenol,2-bromo-4-methoxy-6-nitro- | A803513 | Phenol, 2-bromo-4-methoxy-6-nitro- | AA-0832 | 2-Bromo-4-methoxy-6-nitrobenzenol | FT-0642823 | SCHEMBL4468567 | MFCD06797984 | AKOS005071588 | J-003337 | 2-Bromo-4-methoxy-6-nitrophenol

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488197347

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197347

Sorrisi canonici

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

IUPAC Name

2-bromo-4-methoxy-6-nitrophenol

InChIKey

GAVVLRJHVWIDPK-UHFFFAOYSA-N

INCHI

1S/C7H6BrNO4/c1-13-4-2-5(8)7(10)6(3-4)9(11)12/h2-3,10H,1H3

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

248.03

Reaxy-Rn

4419813

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4419813&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: Nitrophenols Methoxyphenols 4-alkoxyphenols Methoxyanilines Phenoxy compounds Anisoles O-bromophenols Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Methoxyphenol - Nitrophenol - 4-alkoxyphenol - Methoxyaniline - Anisole - 2-halophenol - Phenoxy compound - 2-bromophenol - Phenol ether - Nitroaromatic compound - Methoxybenzene - Bromobenzene - Halobenzene - Alkyl aryl ether - Phenol - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organic salt - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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

• Solubilità: Soluble in Acetone
• Punto di fusione (°C): 118 °C
• Peso molecolare: 248.030 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 246.948 Da
• Monoisotopic Mass: 246.948 Da
• Topological Polar Surface Area: 75.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 195.000
• 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 115929-59-4, the molecular formula is C7H6BrNO4, and the molecular weight is 248.03 g/mol. InChIKey GAVVLRJHVWIDPK-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.