Cas no 26763-71-3 (Benzenesulfonylchloride, methyl-)
26763-71-3 structure
Product Name:Benzenesulfonylchloride, methyl-
CAS No:26763-71-3
MF:C7H7ClO2S
MW:190.647279977798
CID:263065
Update Time:2024-01-27
Benzenesulfonylchloride, methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonylchloride, methyl-
- Toluenesulphonyl chloride
-
- Inchi： 1S/C7H7ClO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3
- InChI Key： HDECRAPHCDXMIJ-UHFFFAOYSA-N
- SMILES： C1(C)=CC=CC=C1S(Cl)(=O)=O
Computed Properties
- Exact Mass: 189.98561
- Monoisotopic Mass: 189.985528
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 199
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 42.5
Experimental Properties
- Density: 1.339
- Boiling Point: 272.3°Cat760mmHg
- Flash Point: 118.5°C
- PSA: 34.14
Benzenesulfonylchloride, methyl- Related Literature
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Chitrakar Ravi,Darapaneni Chandra Mohan,Subbarayappa Adimurthy Org. Biomol. Chem. 2016 14 2282
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Xue-Hong Li,Guang-Chao Yang,Jun-Fang Gong,Mao-Ping Song Org. Biomol. Chem. 2022 20 4815
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3. XCVI.—The cumulative effect of the chlorine atom and the methyl and sulphonyl chloride groups on substitution in the benzene nucleus. Part IWilliam Davies J. Chem. Soc. Trans. 1921 119 853
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4. CCCXXII.—The interaction of nitroaminophenols with sulphonyl chloridesFrank Bell J. Chem. Soc. 1931 2343
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Adam M. Wawro,Takahiro Muraoka,Maho Kato,Kazushi Kinbara Org. Chem. Front. 2016 3 1524
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