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

CAS: 3875-78-3 Cat. No.: B184223 Formule: C₉H₉BrO Poids moléculaire: 213.1 Numéro 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

A l'abri de la lumière, à température ambiante

Shipped In

Normal

Specifications

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

A l'abri de la lumière, à température ambiante

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 488196862
• Sourires canoniques: 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
• Isomères SMILES: C1CC2=C(C=CC(=C2)Br)OC1
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 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

Foire aux questions

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.