Ultraviolet absorber UV-329 CAS#:3147-75-9; 凯望编码 (ChemWhat Code): 50783

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Ultraviolet absorber UV-329
IUPAC Name2-(benzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
分子结构Structure of Ultraviolet absorber UV-329 CAS 3147-75-9
CAS编号 3147-75-9
EINECS Number221-573-5
MDL NumberMFCD00013338
Beilstein Registry NumberNo data available
别名Cyasorb UV 5411, 2-(2H-benzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenol
分子式C20H25N3O
分子量323.43
InChIInChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3
InChI KeyIYAZLDLPUNDVAG-UHFFFAOYSA-N
Canonical SMILESCC(C)(C)CC(C)(C)c1ccc(c(c1)n2nc3ccccc3n2)O
Patent Information
Patent IDTitlePublication Date
US2019/107647OPTICAL MATERIAL COMPRISING A RED-SHIFTED BENZOTRIAZOLE UV ABSORBER2019
CN108148009A transfer method using catalytic preparation of benzo triazole ultraviolet ray absorbing agent (by machine translation)2018
WO2013/188490STABILIZER COMPOSITIONS CONTAINING SUBSTITUTED CHROMAN COMPOUNDS AND METHODS OF USE2013
US5843339Phosphites and their production and use1998

Physical Data

AppearanceWhite powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Melting Point, °C Solvent (Melting Point)
102 – 106
103 – 105
104 – 105

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C
Chemical shifts, Spectrum1H
Chemical shifts1HCDCl3
Chemical shifts1HCDCl337
Description (IR Spectroscopy)Solvent (IR Spectroscopy)
Bands, Spectrum
Description (Mass Spectrometry)
electrospray ionisation (ESI), spectrum
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmLog epsilon
Spectrumdichloromethane
Spectrumdichloromethane339.50.281
340

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Ultraviolet absorber UV-329 CAS 3147-75-9
Route of Synthesis (ROS) of Ultraviolet absorber UV-329 CAS 3147-75-9
ConditionsYield
With tetrabutylammomium bromide; sodium hydroxide In neat (no solvent) at 130℃; under 100 Torr; for 2h; Temperature;80.9%
With sodium hydroxide at 120 – 160℃; under 100 Torr; for 4h; Time;70.3%

Safety and Hazards

Pictogram(s)exclamation-markenvironment
SignalWarning
GHS Hazard StatementsH315 (27.85%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (27.85%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (27.59%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H410 (14.43%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
H412 (38.73%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
H413 (19.24%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classificationpage.)

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
分子量323.438
logP7.859
HBA3
HBD1
Matching Lipinski Rules3
Veber rules component
Polar Surface Area (PSA)50.94
Rotatable Bond (RotB)4
Matching Veber Rules2
Use Pattern
Ultraviolet absorber UV-329 CAS#:3147-75-9 Polymers/polymer applications
Ultraviolet absorber UV-329 CAS#:3147-75-9 light stabilizer
Ultraviolet absorber UV-329 CAS#:3147-75-9 UV absorbing additive
Ultraviolet absorber UV-329 CAS#:3147-75-9 ultraviolet stabilizer of dental material
UV-stabilizer
Co-stabilizer
useful as UV absorbing and light stabilizing additive in plastic films and fibers

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