7-Bromo-1H-indene - ≥97% , CAS No.16657-07-1

CAS: 16657-07-1 Cat. No.: B138348 Fórmula: C₉H₇Br Peso molecular: 195.06 Número EC: 663-059-7

GRADE & PURITY ≥97%

Synonyms

4-bromo-3H-indene | JTRQKQGKIYROIO-UHFFFAOYSA-N | 1H-Indene, 7-bromo- | DS-1605 | SY022538 | SCHEMBL2974474 | A1-00188 | AMY31569 | MFCD16652275 | 7-BROMO-1H-INDENE | DTXSID60537049 | 7-bromoindene | FT-0727376 | EN300-318144 | AKOS016000668

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-bromo-3H-indene | JTRQKQGKIYROIO-UHFFFAOYSA-N | 1H-Indene, 7-bromo- | DS-1605 | SY022538 | SCHEMBL2974474 | A1-00188 | AMY31569 | MFCD16652275 | 7-BROMO-1H-INDENE | DTXSID60537049 | 7-bromoindene | FT-0727376 | EN300-318144 | AKOS016000668

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488198406

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198406

Sonrisas canónicas

C1C=CC2=C1C(=CC=C2)Br

IUPAC Name

7-bromo-1H-indene

InChIKey

JTRQKQGKIYROIO-UHFFFAOYSA-N

INCHI

1S/C9H7Br/c10-9-6-2-4-7-3-1-5-8(7)9/h1-4,6H,5H2

Isómeros SMILES

C1C=CC2=C1C(=CC=C2)Br

WGK Alemania

3

Peso molecular

195.06

Reaxy-Rn

3234748

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3234748&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indenes and isoindenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indenes and isoindenes
• Alternative Parents: Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring).
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Peso molecular: 195.060 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 193.973 Da
• Monoisotopic Mass: 193.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 151.000
• 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