100822-94-4
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Basic information
- Product Name: 1H-Isoindole-1,3(2H)-dione, 2-[2,6-bis(1-methylethyl)phenyl]-5-[(2-propenylthio)methyl]-
- Synonyms:
- CAS NO:100822-94-4
- Molecular Formula: C24H27NO2S
- Molecular Weight:
- EINECS: N/A
- Product Categories: N/A
- Mol File: 100822-94-4.mol
- Article Data: 0
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 1H-Isoindole-1,3(2H)-dione, 2-[2,6-bis(1-methylethyl)phenyl]-5-[(2-propenylthio)methyl]-(CAS DataBase Reference)
- NIST Chemistry Reference: 1H-Isoindole-1,3(2H)-dione, 2-[2,6-bis(1-methylethyl)phenyl]-5-[(2-propenylthio)methyl]-(100822-94-4)
- EPA Substance Registry System: 1H-Isoindole-1,3(2H)-dione, 2-[2,6-bis(1-methylethyl)phenyl]-5-[(2-propenylthio)methyl]-(100822-94-4)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 100822-94-4(Hazardous Substances Data)
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Molecular structure
The compound has an isoindole-dione core consisting of a bicyclic structure with a five-membered ring fused to a six-membered ring.Substituents
The compound has two main substituents a 2-[2,6-bis(1-methylethyl)phenyl] group and a 5-[(2-propenylthio)methyl] group.Aromaticity
The compound exhibits aromaticity due to the presence of the phenyl ring in the 2-[2,6-bis(1-methylethyl)phenyl] group.Aliphatic chain
The 5-[(2-propenylthio)methyl] group introduces an aliphatic chain with a thiomethyl group attached to the isoindole-dione core.Reactivity
The compound may have potential reactivity due to the presence of the 2-propenylthio group, which can participate in various organic reactions.Applications
The compound may have various applications in organic synthesis, pharmaceuticals, or materials science due to its unique structure and potential reactivity.Chemical properties
The presence of the 2-[2,6-bis(1-methylethyl)phenyl] group may impart lipophilicity, while the 5-[(2-propenylthio)methyl] group may introduce nucleophilicity to the compound.Solubility
The compound's solubility may be affected by the presence of the thiomethyl group, which can lead to differences in solubility in polar and nonpolar solvents.Spectroscopic properties
The compound's spectroscopic properties, such as NMR, IR, and mass spectra, will be influenced by its molecular structure and substituents, providing valuable information for identification and characterization.Check Digit Verification of cas no
The CAS Registry Mumber 100822-94-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,8,2 and 2 respectively; the second part has 2 digits, 9 and 4 respectively.Calculate Digit Verification of CAS Registry Number 100822-94:
(8*1)+(7*0)+(6*0)+(5*8)+(4*2)+(3*2)+(2*9)+(1*4)=84
84 % 10 = 4
So 100822-94-4 is a valid CAS Registry Number.
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1H-Isoindole-1,3(2H)-dione,
2-[2,6-bis(1-methylethyl)phenyl]-5-[(2-propenylthio)methyl]-
