Benzenesulfonic acid, 3,5-dimethyl- supplier

Name
3,5-Dimethylbenzenesulfonic acid
EINECS
CAS No. 18023-22-8
Article Data2
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point
Formula C₈H₁₀O₃S
Boiling Point
Molecular Weight 186.232
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Dimethylbenzenesulfonic acid;
PSA 62.75000
LogP 2.63090

Benzenesulfonic acid, 3,5-dimethyl- Specification

The CAS registry number of Benzenesulfonic acid, 3,5-dimethyl- is 18023-22-8. Its molecular formula is C₈H₁₀O₃S and molecular weight is 186.2282. Its systematic name is called 3,5-Dimethylbenzenesulfonic acid.

Physical properties about Benzenesulfonic acid, 3,5-dimethyl- are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.11; (4)ACD/LogD (pH 7.4): -2.11; (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)Index of Refraction: 1.553; (13)Molar Refractivity: 46.34 cm³; (14)Molar Volume: 144.7 cm³; (15)Surface Tension: 45.9 dyne/cm; (16)Density: 1.286 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(cc(c1)C)C
(2)InChI: InChI=1/C8H10O3S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
(3)InChIKey: QFVYAQIVJUCNSJ-UHFFFAOYAD

Product Name

3,5-Dimethylbenzenesulfonic acid

Benzenesulfonic acid, 3,5-dimethyl- Specification

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