2-Bromo-4,5-diethoxybenzonitrile - ≥97% , CAS No.445007-64-7

CAS: 445007-64-7 Cat. No.: B170397 Formula: C₁₁H₁₂BrNO₂ Peso molecolare: 270.12 Numero EC: 677-647-6 PubChem CID: 1225464

GRADE & PURITY ≥97%

Synonyms

2-bromo-4,5-diethoxybenzonitrile|445007-64-7|445005-64-1|DTXSID40361162|BBL016353|MFCD02256850|STK398115|AKOS000303636|AS-61169|A7066|2-Bromo-4,5-diethoxybenzonitrile, AldrichCPR

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-bromo-4,5-diethoxybenzonitrile | 445007-64-7 | 445005-64-1 | DTXSID40361162 | BBL016353 | MFCD02256850 | STK398115 | AKOS000303636 | AS-61169 | A7066 | 2-Bromo-4,5-diethoxybenzonitrile, AldrichCPR

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488191749
• Sorrisi canonici: CCOC1=C(C=C(C(=C1)C#N)Br)OCC
• IUPAC Name: 2-bromo-4,5-diethoxybenzonitrile
• InChIKey: ZWUUIGRMTVSDRU-UHFFFAOYSA-N
• INCHI: 1S/C11H12BrNO2/c1-3-14-10-5-8(7-13)9(12)6-11(10)15-4-2/h5-6H,3-4H2,1-2H3
• Isomeri SMILES: CCOC1=C(C=C(C(=C1)C#N)Br)OCC
• PubChem CID: 1225464
• Peso molecolare: 270.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzonitriles Bromobenzenes Alkyl aryl ethers Aryl bromides Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Phenol ether - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Carbonitrile - Nitrile - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 270.120 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 269.005 Da
• Monoisotopic Mass: 269.005 Da
• Topological Polar Surface Area: 42.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 238.000
• 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 ≥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 445007-64-7, the molecular formula is C11H12BrNO2, and the molecular weight is 270.12 g/mol. InChIKey ZWUUIGRMTVSDRU-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.