1-Bromo-3-(trimethylsilyl)benzene - ≥97% , CAS No.17878-47-6

CAS: 17878-47-6 Cat. No.: B136113 Molecular Weight: 229.19 Beilstein Registry Number: 16(4)1389 EC Number: 661-064-9

GRADE & PURITY ≥97%

Synonyms

F20495 | 1-Bromo-3-trimethylsilanyl-benzene | AS-62655 | 1-Bromo-3-(trimethylsilyl)benzene | 1-BROMO-3-(TRIMETHYLSILYL)-BENZENE | JXQZFRPARQBDKV-UHFFFAOYSA-N | SY038703 | 3-Trimethylsilylbromobenzene | 3-trimethylsilyl-bromobenzene | DTXSID70400174 | MFCD

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

F20495 | 1-Bromo-3-trimethylsilanyl-benzene | AS-62655 | 1-Bromo-3-(trimethylsilyl)benzene | 1-BROMO-3-(TRIMETHYLSILYL)-BENZENE | JXQZFRPARQBDKV-UHFFFAOYSA-N | SY038703 | 3-Trimethylsilylbromobenzene | 3-trimethylsilyl-bromobenzene | DTXSID70400174 | MFCD

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762880
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762880
• Canonical Smiles: C[Si](C)(C)C1=CC(=CC=C1)Br
• IUPAC Name: (3-bromophenyl)-trimethylsilane
• InChIKey: JXQZFRPARQBDKV-UHFFFAOYSA-N
• INCHI: 1S/C9H13BrSi/c1-11(2,3)9-6-4-5-8(10)7-9/h4-7H,1-3H3
• Isomeric SMILES: C[Si](C)(C)C1=CC(=CC=C1)Br
• WGK Germany: 3
• Molecular Weight: 229.19
• Beilstein: 16(4)1389
• Reaxy-Rn: 2828664
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2828664&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Alkylarylsilanes Aryl bromides Organic metalloid salts Organobromides Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkylarylsilane - Bromobenzene - Aryl halide - Aryl bromide - Organic metalloid salt - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organobromide - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene 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

Chemical and Physical Properties

• Refractive Index: 1.53
• Boil Point(°C): 50 °C/0.5 mmHg
• Molecular Weight: 229.190 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 227.997 Da
• Monoisotopic Mass: 227.997 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• 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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