1-(Trimethylsilyl)-1H-benzotriazole - ≥95% , CAS No.43183-36-4

CAS: 43183-36-4 Cat. No.: T124070 Molecular Weight: 191.31 EC Number: 627-604-2 PubChem CID: 3558326

GRADE & PURITY ≥95%

Synonyms

MFCD00216577 | benzotriazol-1-yl(trimethyl)silane | 1-TMS-1H-benzotriazole | 1-(Trimethylsilyl)-1H-benzotriazole, 96% | AKOS015840165 | 1-(trimethylsilyl)-1H-1,2,3-benzotriazole | 1-trimethylsilylbenzotriazole | N-trimethylsilylbenzotriazole | T1752 | 1H-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD00216577 | benzotriazol-1-yl(trimethyl)silane | 1-TMS-1H-benzotriazole | 1-(Trimethylsilyl)-1H-benzotriazole, 96% | AKOS015840165 | 1-(trimethylsilyl)-1H-1, 2, 3-benzotriazole | 1-trimethylsilylbenzotriazole | N-trimethylsilylbenzotriazole | T1752 | 1H-

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504762613
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762613
• Canonical Smiles: C[Si](C)(C)N1C2=CC=CC=C2N=N1
• IUPAC Name: benzotriazol-1-yl(trimethyl)silane
• InChIKey: VHOLOZYRMQVHBK-UHFFFAOYSA-N
• INCHI: 1S/C9H13N3Si/c1-13(2,3)12-9-7-5-4-6-8(9)10-11-12/h4-7H,1-3H3
• Isomeric SMILES: C[Si](C)(C)N1C2=CC=CC=C2N=N1
• WGK Germany: 3
• PubChem CID: 3558326
• Molecular Weight: 191.31
• Reaxy-Rn: 608450

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: Alkylarylsilanes Benzenoids Triazoles Trialkylheterosilanes Heteroaromatic compounds Organic metalloid salts N-silyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzotriazole - Alkylarylsilane - Benzenoid - Azole - Trialkylheterosilane - Heteroaromatic compound - Triazole - 1,2,3-triazole - N-silyl compound - Organoheterosilane - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organosilicon compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - 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: Air & Moisture sensitive
• Refractive Index: 1.545
• Flash Point(°F): 26.6 °F
• Flash Point(°C): -3°C(Lit.)
• Boil Point(°C): 125-126°C/3mmHg
• Molecular Weight: 191.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.088 Da
• Monoisotopic Mass: 191.088 Da
• Topological Polar Surface Area: 30.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190.000
• 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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