Drometrizole Trisiloxane - ≥98% , CAS No.155633-54-8

CAS: 155633-54-8 Cat. No.: D1506309 Molecular Weight: 501.84 EC Number: 687-624-2 PubChem CID: 9848888

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Drometrizole trisiloxane (DRT) belongs to the lipophilic benzotriazole derivative class of compounds commonly utilized in sunscreen cosmetics.

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
• IUPAC Name: 2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol
• InChIKey: HUVYTMDMDZRHBN-UHFFFAOYSA-N
• INCHI: 1S/C24H39N3O3Si3/c1-18-14-20(15-19(2)17-33(9,29-31(3,4)5)30-32(6,7)8)24(28)23(16-18)27-25-21-12-10-11-13-22(21)26-27/h10-14,16,19,28H,15,17H2,1-9H3
• Isomeric SMILES: CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
• PubChem CID: 9848888
• Molecular Weight: 501.84

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,3-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,3-triazoles
• Alternative Parents: Siloxanes Phenylpropanes Benzotriazoles Para cresols Toluenes Trialkylheterosilanes Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,2,3-triazole - Benzotriazole - Siloxane - Phenylpropane - P-cresol - Phenol - Toluene - Monocyclic benzene moiety - Benzenoid - Trialkylheterosilane - Heteroaromatic compound - Organic metalloid salt - Organoheterosilane - Azacycle - Organic salt - Hydrocarbon derivative - Organosilicon compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl 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

• Molecular Weight: 501.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 501.23 Da
• Monoisotopic Mass: 501.23 Da
• Topological Polar Surface Area: 69.400 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 613.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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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