2-(2-hydroxy-3-tert-butyl-5-methylphenyl)-5-chlorobenzotriazoles

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Product Information

Molecular Formula:
C17H18ClN3O
Molecular Weight:
315.79732
Description
UV absorber
Synonyms
BUMETRIZOLE; 3896-11-5; 2-(5-Chloro-2-benzotriazolyl)-6-tert-butyl-p-cresol; Tinuvin326; 2-(tert-Butyl)-6-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol; 2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol
IUPAC Name
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol
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
460.4ºC at 760 mmHg
Melting Point
144-147ºC
Flash Point
420.8 °F
Purity
95%
Density
1.26g/cm3
Solubility
water, 0.6838 mg/L @ 25 °C (est)
Appearance
Slightly yellowish powder
Refractive Index
n20/D 1.479 (lit.)

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
5.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
315.1138399 g/mol
Monoisotopic Mass
315.1138399 g/mol
Topological Polar Surface Area
50.9Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
400
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114085429-A Microcapsule flame retardant and preparation method and application thereof 2021-12-31
CN-114133659-A Fluorine-containing composition for film processing 2021-12-31
CN-114133905-A Organic silicon ceramic tile adhesive and preparation method thereof 2021-12-28
JP-2022036178-A Performance evaluation method and manufacturing control method of foamable laminate 2021-12-28
CN-114163965-A Bi-component solvent-free polyurethane adhesive for solar backboard 2021-12-24
CN-114085448-A High-temperature-resistant waterproof coiled material sizing material composition, high-temperature-resistant waterproof coiled material sizing material, and preparation method and application thereof 2021-12-23
JP-2022040133-A A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same. 2021-12-15
CN-114015324-A Water-based single-component epoxy EPDM (ethylene-propylene-diene monomer) sealing strip coating and spraying equipment thereof 2021-12-08
CN-113980298-A Antistatic master batch and preparation method thereof 2021-11-24
CN-113956487-A Silane modified polyether and preparation method and application thereof 2021-11-23

Literatures

PMID Publication Date Title Journal
30315675 2019-02-01 Transcriptome analysis reveals benzotriazole ultraviolet stabilizers regulate networks related to inflammation in juvenile zebrafish (Danio rerio) brain Environmental toxicology
22019204 2012-06-01 Occurrence and removal of benzotriazoles and ultraviolet filters in a municipal wastewater treatment plant Environmental pollution (Barking, Essex : 1987)
22242929 2012-02-21 Concentrations and composition profiles of benzotriazole UV stabilizers in municipal sewage sludge in China Environmental science & technology
22679835 2012-02-01 [Simultaneous determination of 9 ultraviolet stabilizers in food plastic packaging materials by solid phase extraction-high performance liquid chromatography] Se pu = Chinese journal of chromatography
21704319 2011-08-05 Simultaneous determination of benzotriazoles and ultraviolet filters in ground water, effluent and biosolid samples using gas chromatography-tandem mass spectrometry Journal of chromatography. A
20640407 2011-06-01 Rapid identification and semi-quantitative determination of polymer additives by desorption electrospray ionization/time-of-flight mass spectrometry Analytical and bioanalytical chemistry
21480589 2011-05-01 Determination of benzotriazole and benzophenone UV filters in sediment and sewage sludge Environmental science & technology
20435314 2010-06-11 Pressurized solvent extraction followed by gas chromatography tandem mass spectrometry for the determination of benzotriazole light stabilizers in indoor dust Journal of chromatography. A
21582811 2009-06-06 2-tert-Butyl-6-[(4-chloro-2-nitro-phen-yl)diazen-yl]-4-methylphenol Acta crystallographica. Section E, Structure reports online
18762034 2008-09-01 Effects of a hindered amine light stabilizer and a UV light absorber used in maxillofacial elastomers on human gingival epithelial cells and fibroblasts The Journal of prosthetic dentistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

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