6-Bromochroman - ≥95% , CAS No.3875-78-3

CAS: 3875-78-3 Cat. No.: B184223 Fórmula: C₉H₉BrO Peso molecular: 213.1 Número CE: 640-809-1

GRADE & PURITY ≥95%

Synonyms

MFCD10698725 | AKOS010225411 | SCHEMBL4854354 | 6-Bromo-3,4-dihydro-2H-chromene | AM20040344 | 6-bromo-3,4-dihydro-2H-1-benzopyran | J-518425 | I11494 | AS-2737 | DTXSID50446075 | MB08745 | 6-bromochromane | 6-bromochroman | 6-Bromo-chroman | AC-26725 | S

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD10698725 | AKOS010225411 | SCHEMBL4854354 | 6-Bromo-3,4-dihydro-2H-chromene | AM20040344 | 6-bromo-3,4-dihydro-2H-1-benzopyran | J-518425 | I11494 | AS-2737 | DTXSID50446075 | MB08745 | 6-bromochromane | 6-bromochroman | 6-Bromo-chroman | AC-26725 | S

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488196862
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196862
• Sorrisos canónicos: C1CC2=C(C=CC(=C2)Br)OC1
• IUPAC Name: 6-bromo-3,4-dihydro-2H-chromene
• InChIKey: KPFDABVKWKOIME-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
• SMILES isoméricas: C1CC2=C(C=CC(=C2)Br)OC1
• Peso molecular: 213.1
• Reaxy-Rn: 127613
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127613&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Alkyl aryl ethers Benzenoids Aryl bromides Oxacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Alkyl aryl ether - Benzenoid - Aryl halide - Aryl bromide - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Peso molecular: 213.070 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 211.984 Da
• Monoisotopic Mass: 211.984 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 3875-78-3, the molecular formula is C9H9BrO, and the molecular weight is 213.1 g/mol. InChIKey KPFDABVKWKOIME-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.