1-[2-(Trimethylsilyl)ethoxycarbonyloxy]benzotriazole - ≥98%(HPLC) , CAS No.113306-55-1

CAS: 113306-55-1 Cat. No.: T162248 Molecular Weight: 279.37 PubChem CID: 13892319

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-[2-Ethoxycarbonyloxy]benzotriazole | T2590 | T71606 | 1-({[2-(Trimethylsilyl)ethoxy]carbonyl}oxy)-1H-benzotriazole | BJUJSLXVBATBSB-UHFFFAOYSA-N | MFCD11846123 | AS-69046 | C12H17N3O3Si | 1-[2-(trimethylsilyl)- ethoxycarbonyl-oxy]benzotriazole | 1-[2-(t

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-[2-Ethoxycarbonyloxy]benzotriazole | T2590 | T71606 | 1-({[2-(Trimethylsilyl)ethoxy]carbonyl}oxy)-1H-benzotriazole | BJUJSLXVBATBSB-UHFFFAOYSA-N | MFCD11846123 | AS-69046 | C12H17N3O3Si | 1-[2-(trimethylsilyl)- ethoxycarbonyl-oxy]benzotriazole | 1-[2-(t

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)CCOC(=O)ON1C2=CC=CC=C2N=N1
• IUPAC Name: benzotriazol-1-yl 2-trimethylsilylethyl carbonate
• InChIKey: BJUJSLXVBATBSB-UHFFFAOYSA-N
• INCHI: 1S/C12H17N3O3Si/c1-19(2,3)9-8-17-12(16)18-15-11-7-5-4-6-10(11)13-14-15/h4-7H,8-9H2,1-3H3
• Isomeric SMILES: C[Si](C)(C)CCOC(=O)ON1C2=CC=CC=C2N=N1
• PubChem CID: 13892319
• Molecular Weight: 279.37
• Reaxy-Rn: 5081030

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzotriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzotriazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzotriazoles
• Alternative Parents: Benzenoids Triazoles Heteroaromatic compounds Organic carbonic acids and derivatives Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkylsilanes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - Benzenoid - Azole - Triazole - Heteroaromatic compound - 1,2,3-triazole - Carbonic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Alkylsilane - Organosilicon compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms).
• 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
• Molecular Weight: 279.370 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 279.104 Da
• Monoisotopic Mass: 279.104 Da
• Topological Polar Surface Area: 66.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 322.000
• 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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