7-Bromo-1,1,2-trimethyl-1h-benzo[e]indole - ≥95% , CAS No.879713-65-2

CAS: 879713-65-2 Cat. No.: B187574 Peso molecular: 288.2 Número EC: 620-221-1

GRADE & PURITY ≥95%

Synonyms

C15H14BrN | DS-11780 | 6-Bromo-2,3,3-trimethyl-4,5-benzoindolenine | SY104991 | SCHEMBL650303 | AMY29037 | AKOS015920171 | MFCD09056715 | 7-BROMO-1,1,2-TRIMETHYLBENZO[E]INDOLE | 7-Bromo-1,1,2-trimethyl-1H-benzo[e]indole | 7-bromo-1,1,2-trimethyl-1h-benz[e

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

C15H14BrN | DS-11780 | 6-Bromo-2, 3, 3-trimethyl-4, 5-benzoindolenine | SY104991 | SCHEMBL650303 | AMY29037 | AKOS015920171 | MFCD09056715 | 7-BROMO-1, 1, 2-TRIMETHYLBENZO[E]INDOLE | 7-Bromo-1, 1, 2-trimethyl-1H-benzo[e]indole | 7-bromo-1, 1, 2-trimethyl-1h-benz[e

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504770079
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770079
• Sonrisas canónicas: CC1=NC2=C(C1(C)C)C3=C(C=C2)C=C(C=C3)Br
• IUPAC Name: 7-bromo-1,1,2-trimethylbenzo[e]indole
• InChIKey: OJKFWXNRBKESAI-UHFFFAOYSA-N
• INCHI: 1S/C15H14BrN/c1-9-15(2,3)14-12-6-5-11(16)8-10(12)4-7-13(14)17-9/h4-8H,1-3H3
• Isómeros SMILES: CC1=NC2=C(C1(C)C)C3=C(C=C2)C=C(C=C3)Br
• Peso molecular: 288.2
• Reaxy-Rn: 33288441
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33288441&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: 3-alkylindoles Aryl bromides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - 3-alkylindole - Indole or derivatives - Aryl bromide - Aryl halide - Ketimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Peso molecular: 288.180 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 287.031 Da
• Monoisotopic Mass: 287.031 Da
• Topological Polar Surface Area: 12.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 347.000
• 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