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Cas Database |
| Name |
Benzene,1-[(1-isocyanobutyl)sulfonyl]-4-methyl- |
EINECS | N/A |
| CAS No. | 58379-82-1 | Density | N/A |
| PSA | 42.52000 | LogP | 3.12570 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H15NO2S | Boiling Point | N/A |
| Molecular Weight | 237.323 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-N-Propyl-1-tosylmethyl isocyanide;1-[(1-Isocyanobutyl)sulfonyl]-4-methylbenzene;1-Isocyanobutyl 4-methylphenyl sulfone; |
Article Data | 2 |
Benzene,1-[(1-isocyanobutyl)sulfonyl]-4-methyl- Specification
The Benzene,1-[(1-isocyanobutyl)sulfonyl]-4-methyl-, with the CAS registry number 58379-82-1, is also known as 1-Isocyanobutyl 4-methylphenyl sulfone. This chemical's molecular formula is C12H15NO2S and molecular weight is 237.32. What's more, its systematic name is 1-[(1-isocyanobutyl)sulfonyl]-4-methylbenzene.
Physical properties of Benzene,1-[(1-isocyanobutyl)sulfonyl]-4-methyl- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 46.88 Å2.
Uses of Benzene,1-[(1-isocyanobutyl)sulfonyl]-4-methyl-: it can be used to produce 4-benzyloxymethyl-5-[2-isocyano-2-(toluene-4-sulfonyl)-pentyl]-2,2-dimethyl-[1,3]dioxolane at the ambient temperature. It will need reagent NaH and solvent dimethylsulfoxide with the reaction time of 3 hours. The yield is about 50%.
![Benzene,1-[(1-isocyanobutyl)sulfonyl]-4-methyl- can be used to produce 4-benzyloxymethyl-5-[2-isocyano-2-(toluene-4-sulfonyl)-pentyl]-2,2-dimethyl-[1,3]dioxolane at the ambient temperature](/UserFilesUpload/Uses of Benzene,1-[(1-isocyanobutyl)sulfonyl]-4-methyl-.png)
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(C)cc1)C([N+]#[C-])CCC
(2)Std. InChI: InChI=1S/C12H15NO2S/c1-4-5-12(13-3)16(14,15)11-8-6-10(2)7-9-11/h6-9,12H,4-5H2,1-2H3
(3)Std. InChIKey: KAEDHYMVPXWAGH-UHFFFAOYSA-N
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