3-(Triethoxysilyl)propyl 2-Bromo-2-methylpropanoate - ≥93% , CAS No.880339-31-1

CAS: 880339-31-1 Cat. No.: T405096 Molecular Weight: 371.34 EC Number: 842-657-3 PubChem CID: 53230135

GRADE & PURITY ≥93%

Synonyms

MFCD05865083 | 2-Bromo-2-methylpropanoic acid 3-(triethoxysilyl)propyl ester | 3-(2-bromo-2-isobutyryloxy)propyltriethoxysilane | T3846 | 2-Bromoisobutyric acid 3-(triethoxysilyl)propyl ester | F74405 | 3-triethoxysilylpropyl 2-bromo-2-methylpropanoate |

Storage

Argon charged,Room temperature

Specifications

Synonyms

MFCD05865083 | 2-Bromo-2-methylpropanoic acid 3-(triethoxysilyl)propyl ester | 3-(2-bromo-2-isobutyryloxy)propyltriethoxysilane | T3846 | 2-Bromoisobutyric acid 3-(triethoxysilyl)propyl ester | F74405 | 3-triethoxysilylpropyl 2-bromo-2-methylpropanoate |

Specifications & Purity

≥93%

Storage

Argon charged, Room temperature

Purity

≥93%

Names and Identifiers

• Pubchem Sid: 488201555
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201555
• Canonical Smiles: CCO[Si](CCCOC(=O)C(C)(C)Br)(OCC)OCC
• IUPAC Name: 3-triethoxysilylpropyl 2-bromo-2-methylpropanoate
• InChIKey: HRBDELVBHOGZRM-UHFFFAOYSA-N
• INCHI: 1S/C13H27BrO5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-16-12(15)13(4,5)14/h6-11H2,1-5H3
• Isomeric SMILES: CCO[Si](CCCOC(=O)C(C)(C)Br)(OCC)OCC
• PubChem CID: 53230135
• Molecular Weight: 371.34
• Reaxy-Rn: 21246247

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Alpha-halocarboxylic acid derivatives Silyl ethers Carboxylic acid esters Organoheterosilanes Organic metalloid salts Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Silyl ether - Carboxylic acid ester - Organic metalloid salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterosilane - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl bromide - Alkyl halide - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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
• Flash Point(°C): 163 °C
• Boil Point(°C): 130 °C/1.5 mmHg
• Molecular Weight: 371.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 370.081 Da
• Monoisotopic Mass: 370.081 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 269.000
• 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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