5-Bromo-1-(tert-butyldimethylsilyl)-1H-indole - ≥95% , CAS No.331432-91-8

CAS: 331432-91-8 Cat. No.: B1337492 Molecular Weight: 310.3 EC Number: 636-483-5 PubChem CID: 11472373

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)N1C=CC2=C1C=CC(=C2)Br
• IUPAC Name: (5-bromoindol-1-yl)-tert-butyl-dimethylsilane
• InChIKey: WBOWSDFSONZNEE-UHFFFAOYSA-N
• INCHI: 1S/C14H20BrNSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3
• Isomeric SMILES: CC(C)(C)[Si](C)(C)N1C=CC2=C1C=CC(=C2)Br
• WGK Germany: 3
• PubChem CID: 11472373
• Molecular Weight: 310.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Alkylarylsilanes Substituted pyrroles Benzenoids Aryl bromides Trialkylheterosilanes Heteroaromatic compounds Organic metalloid salts N-silyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Alkylarylsilane - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Trialkylheterosilane - Pyrrole - Heteroaromatic compound - Organoheterosilane - N-silyl compound - Organic metalloid salt - Azacycle - Organosilicon compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organic metalloid moeity - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Chemical and Physical Properties

• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Molecular Weight: 310.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 309.055 Da
• Monoisotopic Mass: 309.055 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 284.000
• 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

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