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

CAS: 3875-78-3 Cat. No.: B184223 Summenformel: C₉H₉BrO Molekulargewicht: 213.1 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488196862
• Kanonisches Lächeln: 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
• Isomere SMILES: C1CC2=C(C=CC(=C2)Br)OC1
• Molekulargewicht: 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
    • Klasse Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 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

Häufig gestellte Fragen

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.