8-Bromochroman - ≥95% , CAS No.3722-78-9

CAS: 3722-78-9 Cat. No.: B193046 Formule: C₉H₉BrO Poids moléculaire: 213.07 Numéro CE: 822-577-5

GRADE & PURITY ≥95%

Synonyms

8-Bromochromane | DTXSID20626605 | A874140 | YJOORJDFGHETSS-UHFFFAOYSA-N | EN300-97743 | Z1269242001 | 8-Bromo-3,4-dihydro-2H-1-benzopyran | AMY17077 | SY121098 | AKOS022690743 | DS-8129 | I11496 | 8-bromochroman | 8-bromo-chroman | MFCD09266208 | 8-BROMO

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

8-Bromochromane | DTXSID20626605 | A874140 | YJOORJDFGHETSS-UHFFFAOYSA-N | EN300-97743 | Z1269242001 | 8-Bromo-3,4-dihydro-2H-1-benzopyran | AMY17077 | SY121098 | AKOS022690743 | DS-8129 | I11496 | 8-bromochroman | 8-bromo-chroman | MFCD09266208 | 8-BROMO

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1CC2=C(C(=CC=C2)Br)OC1

IUPAC Name

8-bromo-3,4-dihydro-2H-chromene

InChIKey

YJOORJDFGHETSS-UHFFFAOYSA-N

INCHI

1S/C9H9BrO/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5H,2,4,6H2

Isomères SMILES

C1CC2=C(C(=CC=C2)Br)OC1

Poids moléculaire

213.07

Reaxy-Rn

1366803

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1366803&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

• 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