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| CAS No.: | 88-20-0 |
|---|---|
| Name: | 2-TOLUENESULFONIC ACID |
| Article Data: | 61 |
| Molecular Structure: | |
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| Formula: | C7H8O3S |
| Molecular Weight: | 172.205 |
| Synonyms: | o-Toluenesulfonicacid (8CI);2-Methylbenzenesulfonic acid;NSC 87381;Toluene-2-sulfonic acid;o-Methylbenzenesulfonic acid; |
| EINECS: | 201-809-3 |
| Density: | 1.34 g/cm3 |
| Melting Point: | 67.5°C |
| Boiling Point: | 272.52°C (rough estimate) |
| Solubility: | 488.9g/L(32.5 oC) |
| PSA: | 62.75000 |
| LogP: | 2.32250 |
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Specification
This chemical is called Benzenesulfonic acid, 2-methyl-, and it can also be named as Toluene-2-sulphonic acid. With the molecular formula of C7H8O3S, its molecular weight is 172.20. The CAS registry number of this chemical is 88-20-0.
Other characteristics of the Benzenesulfonic acid, 2-methyl- can be summarised as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -2.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 41.72 cm3; (15)Molar Volume: 128.4 cm3; (16)Polarizability: 16.54×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.34 g/cm3.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C7H8O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
2.Smiles: c1(c(cccc1)C)S(O)(=O)=O