3-Bromo-5-ethoxy-4-hydroxybenzonitrile - ≥97% , CAS No.330462-57-2

CAS: 330462-57-2 Cat. No.: B169614 Fórmula: C₉H₈BrNO₂ Peso molecular: 242.07 Número EC: 678-724-7 PubChem CID: 2063734

GRADE & PURITY ≥97%

Synonyms

3-bromo-5-ethoxy-4-hydroxybenzonitrile | 3-Bromo-5-Ethoxy-4-Hydroxy-Benzonitrile | A18642 | 3-Bromo-5-ethoxy-4-hydroxybenzonitrile, AldrichCPR | FT-0755341 | DTXSID40366319 | Z56979308 | AS-63864 | AKOS000304417 | SR-01000052224-1 | Oprea1_213432 | STK348

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-bromo-5-ethoxy-4-hydroxybenzonitrile | 3-Bromo-5-Ethoxy-4-Hydroxy-Benzonitrile | A18642 | 3-Bromo-5-ethoxy-4-hydroxybenzonitrile, AldrichCPR | FT-0755341 | DTXSID40366319 | Z56979308 | AS-63864 | AKOS000304417 | SR-01000052224-1 | Oprea1_213432 | STK348

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488192054

Sonrisas canónicas

CCOC1=C(C(=CC(=C1)C#N)Br)O

IUPAC Name

3-bromo-5-ethoxy-4-hydroxybenzonitrile

InChIKey

LJCGZWYWRSRSMU-UHFFFAOYSA-N

INCHI

1S/C9H8BrNO2/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-4,12H,2H2,1H3

Isómeros SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)O

PubChem CID

2063734

Peso molecular

242.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds O-bromophenols Benzonitriles Bromobenzenes Alkyl aryl ethers Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Phenoxy compound - 2-halophenol - 2-bromophenol - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Nitrile - Carbonitrile - Ether - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a 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

Propiedades químicas y físicas

• Peso molecular: 242.070 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.974 Da
• Monoisotopic Mass: 240.974 Da
• Topological Polar Surface Area: 53.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 213.000
• 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

Preguntas frecuentes

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 330462-57-2, the molecular formula is C9H8BrNO2, and the molecular weight is 242.07 g/mol. InChIKey LJCGZWYWRSRSMU-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.