Cas no 36747-44-1 (Benzenesulfonic acid,4-methyl-, calcium salt (2:1))
36747-44-1 structure
Product Name:Benzenesulfonic acid,4-methyl-, calcium salt (2:1)
CAS No:36747-44-1
MF:C14H14CaO6S2
MW:382.465361118317
CID:311179
PubChem ID:9821332
Update Time:2025-04-19
Benzenesulfonic acid,4-methyl-, calcium salt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-methyl-, calcium salt (2:1)
- benzenesulfonate, 4-methyl-, calcium salt
- Calcium p-toluenesulphonate
- NS00089121
- Benzenesulfonic acid, 4-methyl-, calcium salt (2:1)
- SCHEMBL466632
- 36747-44-1
- EINECS 253-183-6
- calcium paratoluenesulfonate
- CALCIUM P-TOLUENESULFONATE
- GVARKRUZKAZPOZ-UHFFFAOYSA-L
- DTXSID70190205
-
- Inchi： 1S/2C7H8O3S.Ca/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2
- InChI Key： GVARKRUZKAZPOZ-UHFFFAOYSA-L
- SMILES： [Ca+2].S(C1C=CC(C)=CC=1)(=O)(=O)[O-].S(C1C=CC(C)=CC=1)(=O)(=O)[O-]
Computed Properties
- Exact Mass: 381.98582
- Monoisotopic Mass: 172.019415
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 206
- 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: 1.7
- Topological Polar Surface Area: 62.8
Experimental Properties
- Density: 1.34
- Melting Point: 106-107 DEG C /ANHYDROUS/
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 114.4
Benzenesulfonic acid,4-methyl-, calcium salt (2:1) Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
36747-44-1 (Benzenesulfonic acid,4-methyl-, calcium salt (2:1)) Related Products
- 2113-68-0(4-Biphenylsulfonic acid)
- 104-15-4(4-methylbenzene-1-sulfonic acid)
- 1300-72-7(Xylenesulfonic Acid Sodium Salt)
- 312619-56-0(3-Methylbenzenesulfonic Acid Monohydrate)
- 53933-48-5(Hydroxylammonium 4-methylbenzenesulphonate)
- 114435-86-8(Fluoromethyl 4-methylbenzenesulfonate)
- 618-01-9(3,4-dimethylbenzene-1-sulfonic acid)
- 617-97-0(3-methylbenzene-1-sulfonic acid)
- 6192-52-5(p-Toluenesulfonic acid monohydrate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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