Basic Information | Post buying leads | Suppliers |
Name |
Dimethylnaphthalenesulphonic acid |
EINECS | 250-461-9 |
CAS No. | 31091-50-6 | Density | 1.32 g/cm3 |
PSA | 62.75000 | LogP | 3.78410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H12O3S | Boiling Point | N/A |
Molecular Weight | 236.28688 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,3-dimethylnaphthalene-1-sulfonic acid;Naphthalenesulfonic acid, dimethyl-; |
The CAS registry number of Dimethylnaphthalenesulphonic acid is 31091-50-6. This chemical is also named as 1-Naphthalenesulfonic acid, 2,3-dimethyl-. Its EINECS registry number is 250-461-9. In addition, its molecular formula is C12H12O3S and molecular weight is 236.28688. Its systematic name and IUPAC name are the same which is called 2,3-dimethylnaphthalene-1-sulfonic aci.
Physical properties about Dimethylnaphthalenesulphonic acid are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.86; (4)ACD/LogD (pH 7.4): -0.88; (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: 1.633; (13)Molar Refractivity: 63.9 cm3; (14)Molar Volume: 178.8 cm3; (15)Surface Tension: 52.5 dyne/cm; (16)Density: 1.32 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2c1ccccc1cc(c2C)C
(2)InChI: InChI=1/C12H12O3S/c1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15/h3-7H,1-2H3,(H,13,14,15)
(3)InChIKey: SDRWSOSZWGTKEF-UHFFFAOYAU