3-Bromo-1-(triisopropylsilyl)pyrrole - ≥95%(GC) , CAS No.87630-36-2

CAS: 87630-36-2 Cat. No.: B152724 Molecular Weight: 302.33 EC Number: 678-039-3

GRADE & PURITY ≥95%(GC)

Synonyms

3-Bromo-1-(triisopropylsilyl)-1H -pyrrole | SY031245 | (3-Bromopyrrol-1-yl)-triisopropyl-silane | 3-Bromo-1-(triisopropylsilyl)-1H-pyrrole | 1H-Pyrrole, 3-bromo-1-[tris(1-methylethyl)silyl]- | S03129 | EN300-109530 | CNAUTMPRKBSDLH-UHFFFAOYSA-N | 3-Bromo-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

3-Bromo-1-(triisopropylsilyl)-1H -pyrrole | SY031245 | (3-Bromopyrrol-1-yl)-triisopropyl-silane | 3-Bromo-1-(triisopropylsilyl)-1H-pyrrole | 1H-Pyrrole, 3-bromo-1-[tris(1-methylethyl)silyl]- | S03129 | EN300-109530 | CNAUTMPRKBSDLH-UHFFFAOYSA-N | 3-Bromo-

Specifications & Purity

≥95%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504761738
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761738
• Canonical Smiles: CC(C)[Si](C(C)C)(C(C)C)N1C=CC(=C1)Br
• IUPAC Name: (3-bromopyrrol-1-yl)-tri(propan-2-yl)silane
• InChIKey: CNAUTMPRKBSDLH-UHFFFAOYSA-N
• INCHI: 1S/C13H24BrNSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3
• Isomeric SMILES: CC(C)[Si](C(C)C)(C(C)C)N1C=CC(=C1)Br
• WGK Germany: 3
• Molecular Weight: 302.33
• Reaxy-Rn: 4248471
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4248471&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylarylsilanes
• Alternative Parents: Substituted pyrroles Aryl bromides Trialkylheterosilanes Heteroaromatic compounds Organic metalloid salts N-silyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkylarylsilane - Aryl bromide - Aryl halide - Substituted pyrrole - Pyrrole - Trialkylheterosilane - Heteroaromatic compound - N-silyl compound - Organoheterosilane - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic salt - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.52
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Molecular Weight: 302.330 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 301.086 Da
• Monoisotopic Mass: 301.086 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 206.000
• 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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