6-butyl-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate CAS#: 1610827-31-0; 凯望编码 (ChemWhat Code): 1499749

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

Identification

英文名6-butyl-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate
IUPAC名称No data available
分子结构Structure of 6-butyl-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate CAS 1610827-31-0
CAS Registry Number 1610827-31-0
EINECS NumberNo data available
MDL NumberNo data available
Beilstein Registry NumberNo data available
Synonyms1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-butyl-2-[[(trifluoromethyl)sulfonyl]oxy]-
6-Butyl-2-{[(trifluormethyl)sulfonyl]oxy}-1H-benzo[de]isochinolin-1,3(2H)-dion
6-Butyl-2-{[(trifluorométhyl)sulfonyl]oxy}-1H-benzo[de]isoquinoléine-1,3(2H)-dione
6-Butyl-2-{[(trifluoromethyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Molecular FormulaC17H14F3NO5S
Molecular Weight401.355
InChIInChI=1S/C17H14F3NO5S/c1-2-3-5-10-8-9-13-14-11(10)6-4-7-12(14)15(22)21(16(13)23)26-27(24,25)17(18,19)20/h4,6-9H,2-3,5H2,1H3
InChI KeyMCGHKIFMSZAFAV-UHFFFAOYSA-N
Canonical SMILESCCCCc1ccc2c3c(cccc13)C(=O)N(OS(=O)(=O)C(F)(F)F)C2=O
Patent Information
Patent IDTitlePublication Date
CN119661433Photoinduced acid generator, preparation method thereof and photoresist based on photoinduced acid generator2025
TW2018/33084Negative photosensitive composition, article cured therefrom, and method for curing said composition2018
EP2927216PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES2015

Physical Data

AppearanceWhite to off-white powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Melting Point, °C Solvent (Melting Point)
110
Temperature (Solubility (MCS)), °CComment (Solubility (MCS))
251Solubility: 20 g/100g solvent

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzOriginal Text (NMR Spectroscopy)
Spectrum, Chemical shifts1Hchloroform-d1300
Chemical shifts1H[D3]acetonitrile758.65-8.58(m,2H), 8.52(d,1H,J=7.3 Hz), 7.86(dd,1H,J=7,3,7.3 Hz), 7.71(d,1H,J=7.9 Hz),3.21(t,2H,J=7.9 Hz), 1.76-1.68(m,2H), 1.51-1.40(m,2H), 0.96(t,3H,J=7.3 Hz).
Description (IR Spectroscopy)Original Text (IR Spectroscopy)
Bands2969, 2938, 2883, 1716, 1579, 1434, 1397, 1321, 1228, 1174, 1130, 953, 853
Description (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1
Absorption maxima34616500
Absorption maxima36511600

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 6-butyl-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate CAS# 1610827-31-0
Route of Synthesis (ROS) of 6-butyl-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate CAS# 1610827-31-0
ConditionsYield
With pyridine In dichloromethane at 0 – 20℃; for 1h;89.48%
With pyridine In chloroform at 2 – 20℃; for 1h;3.06 g

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS Code
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight401.363
logP4.44
HBA4
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)89.13
Rotatable Bond (RotB)6
Matching Veber Rules2
Use Pattern
Photoacid Generator (PAG) in Semiconductor Lithography
The primary use of CAS 85342-62-7 is as a non-ionic photoacid generator (PAG) used in chemically amplified photoresists. Upon exposure to UV, DUV, or electron-beam radiation, it generates a strong acid that drives resist chemical reactions needed for pattern formation.
Advanced Photoresist Systems
Microelectronics & Nanofabrication
UV / Radiation-Induced Polymer Chemistry
used as a cationic photoinitiator, enabling:
Cationic polymerization reactions
UV-curable coatings and resins (in research/advanced formulations)
Polymer surface modification systems

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