Cas no 71996-48-0 (Benzene,1-methyl-2-[(phenylsulfonyl)methyl]-)
![Benzene,1-methyl-2-[(phenylsulfonyl)methyl]- structure](https://ossimg.kuujia.com/scimg/72000/71996-48-0x500.png)
71996-48-0 structure
Product Name:Benzene,1-methyl-2-[(phenylsulfonyl)methyl]-
CAS No:71996-48-0
MF:C14H14O2S
MW:246.324762821198
CID:548725
PubChem ID:24858310
Update Time:2025-04-19
Benzene,1-methyl-2-[(phenylsulfonyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-methyl-2-[(phenylsulfonyl)methyl]-
- 1-(benzenesulfonylmethyl)-2-methylbenzene
- 1-Methyl-2-[(Phenylsulfonyl)Methyl]Benzene
- (2-methyl-benzyl)-phenyl sulfone
- (2-Methyl-benzyl)-phenyl-sulfon
- 1-methyl-2-[(phenylsulfonyl)methyl]-benzene
- 2-Methylbenzyl phenyl sulfone
- 303887_ALDRICH
- AC1N5SK7
- ACMC-1BFD1
- CTK5D5350
- SureCN2808506
- DTXSID90400792
- Z291973306
- 1-Methyl-2-((phenylsulfonyl)methyl)-benz ene,97%
- AKOS015889068
- 1-methyl-2-(phenylsulfonylmethyl)benzene
- SCHEMBL2808506
- 71996-48-0
- FT-0641385
- 1-Methyl-2-[(phenylsulfonyl)methyl]benzene, 97%
- 1-methyl-2-((phenylsulfonyl)methyl)benzene
- DB-055595
-
- MDL： MFCD00012365
- Inchi： 1S/C14H14O2S/c1-12-7-5-6-8-13(12)11-17(15,16)14-9-3-2-4-10-14/h2-10H,11H2,1H3
- InChI Key： PWECXBSVNSKIIN-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(CC1C=CC=CC=1C)(=O)=O
Computed Properties
- Exact Mass: 246.07152
- Monoisotopic Mass: 246.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 323
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 42.5A^2
Experimental Properties
- Density: 1.183
- Melting Point: 81-83?°C (lit.)
- Boiling Point: 435.9°C at 760 mmHg
- Flash Point: 271°C
- Refractive Index: 1.582
- PSA: 34.14
Benzene,1-methyl-2-[(phenylsulfonyl)methyl]- Security Information
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
Benzene,1-methyl-2-[(phenylsulfonyl)methyl]- Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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