6-Bromoisochromane - ≥96% , CAS No.182949-90-2

CAS: 182949-90-2 Cat. No.: B182269 Formule: C₉H₉BrO Poids moléculaire: 213.07

GRADE & PURITY ≥96%

Synonyms

1H-2-Benzopyran, 6-bromo-3,4-dihydro- | 6-BROMO-3,4-DIHYDRO-1H-2-BENZOPYRAN | J-518437 | AM803403 | 6-BROMO-3,4-DIHYDRO-1H-ISOCHROMENE | SY101936 | BCP08491 | AC-25655 | SCHEMBL5366924 | EN300-196949 | MFCD11226898 | FT-0740699 | A26297 | MB09745 | AS-396

Storage

Température ambiante

Shipped In

Wet ice

Specifications

Synonymes

1H-2-Benzopyran, 6-bromo-3,4-dihydro- | 6-BROMO-3,4-DIHYDRO-1H-2-BENZOPYRAN | J-518437 | AM803403 | 6-BROMO-3,4-DIHYDRO-1H-ISOCHROMENE | SY101936 | BCP08491 | AC-25655 | SCHEMBL5366924 | EN300-196949 | MFCD11226898 | FT-0740699 | A26297 | MB09745 | AS-396

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Température ambiante

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥96%

Noms et identifiants

Pubchem Sid

528762463

Sourires canoniques

C1COCC2=C1C=C(C=C2)Br

IUPAC Name

6-bromo-3,4-dihydro-1H-isochromene

InChIKey

LHXQWWFCWFMCHO-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1COCC2=C1C=C(C=C2)Br

Poids moléculaire

213.07

Reaxy-Rn

7527031

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7527031&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 2-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 2-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzopyrans
• Alternative Parents: Benzenoids Aryl bromides Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzopyran - Benzenoid - Aryl halide - Aryl bromide - Oxacycle - Ether - Dialkyl 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 2-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 2-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: 2.300
• 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