2-Bromo-6-ethoxynaphthalene - ≥98% , CAS No.66217-19-4

CAS: 66217-19-4 Cat. No.: B185886 Formula: C₁₂H₁₁BrO Peso molecolare: 251.1 Numero EC: 676-767-6

GRADE & PURITY ≥98%

Synonyms

A867505 | 6-Ethoxy-2-bromonaphthalene | MFCD01568865 | DTXSID20284926 | NSC39872 | NSC-39872 | SB67088 | 2-bromo-6-ethoxynaphthalene | 2-Bromo-6-ethoxy-naphthalene | FT-0657251 | AQ-918/42745346 | FXVYIQCXQULCKL-UHFFFAOYSA-N | D97419 | Naphthalene,2-bromo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

A867505 | 6-Ethoxy-2-bromonaphthalene | MFCD01568865 | DTXSID20284926 | NSC39872 | NSC-39872 | SB67088 | 2-bromo-6-ethoxynaphthalene | 2-Bromo-6-ethoxy-naphthalene | FT-0657251 | AQ-918/42745346 | FXVYIQCXQULCKL-UHFFFAOYSA-N | D97419 | Naphthalene,2-bromo

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488188891

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188891

Sorrisi canonici

CCOC1=CC2=C(C=C1)C=C(C=C2)Br

IUPAC Name

2-bromo-6-ethoxynaphthalene

InChIKey

FXVYIQCXQULCKL-UHFFFAOYSA-N

INCHI

1S/C12H11BrO/c1-2-14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8H,2H2,1H3

Isomeri SMILES

CCOC1=CC2=C(C=C1)C=C(C=C2)Br

Peso molecolare

251.1

Reaxy-Rn

2086984

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086984&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Alkyl aryl ether - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Punto di fusione (°C): 76-81°C
• Peso molecolare: 251.120 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 249.999 Da
• Monoisotopic Mass: 249.999 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 183.000
• 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 66217-19-4, the molecular formula is C12H11BrO, and the molecular weight is 251.1 g/mol. InChIKey FXVYIQCXQULCKL-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.