Bumetrizole

• Catalog Number: ACM3896115-1
• Product Name: Bumetrizole
• CAS: 3896-11-5
• Category: Heterocyclic Organic Compound
• Synonyms: 2-(5-Chloro-2-benzotriazolyl)-6-tert-butyl-p-cresol
• IUPAC Name: 2-Tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol
• Molecular Weight: 315.8
• Molecular Formula: C17H18ClN3O
• Canonical SMILES: CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C
• InChI: InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3
• InChI Key: OCWYEMOEOGEQAN-UHFFFAOYSA-N
• Boiling Point: 460.4±55.0 °C
• Melting Point: 144-147 °C
• Complexity: 400
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Exact Mass: 315.1138399
• Formal Charge: 0
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 315.1138399
• Physical State: Light yellow powder
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 50.9 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Reviews

July 19, 2023

A light stabilizer

Bumetrizole can effectively absorb ultraviolet light with a wavelength of 270 to 380 nm, and is applied to a coating as a light absorbent.

Custom Q&A

What is the molecular formula of bumetrizole?

The molecular formula of bumetrizole is C17H18ClN3O.

What is the molecular weight of bumetrizole?

The molecular weight of bumetrizole is 315.8 g/mol.

What is the IUPAC name of bumetrizole?

The IUPAC name of bumetrizole is 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol.

What is the InChI of bumetrizole?

The InChI of bumetrizole is InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3.

What is the InChIKey of bumetrizole?

The InChIKey of bumetrizole is OCWYEMOEOGEQAN-UHFFFAOYSA-N.

What is the canonical SMILES of bumetrizole?

The canonical SMILES of bumetrizole is CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C.

What is the CAS number of bumetrizole?

The CAS number of bumetrizole is 3896-11-5.

What is the ChEMBL ID of bumetrizole?

The ChEMBL ID of bumetrizole is CHEMBL1880325.

How many hydrogen bond donor counts does bumetrizole have?

Bumetrizole has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does bumetrizole have?

Bumetrizole has 3 hydrogen bond acceptor counts.