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Name |
Naphthalene-1,3,5-trisulphonic acid |
EINECS | 229-679-3 |
CAS No. | 6654-64-4 | Density | 1.919 g/cm3 |
PSA | 196.74000 | LogP | 2.79450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8O9S3 | Boiling Point | N/A |
Molecular Weight | 368.366 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Naphthalene-1,3,5-trisulphonic acid; |
Article Data | 12 |
The Naphthalene-1,3,5-trisulphonic acid with the cas number 6654-64-4 is also called 1,3,5-Naphthalenetrisulfonicacid. Its EINECS registry number is 229-679-3. The molecular formula is C10H8O9S3. This chemical belongs to the following product categories: (1)Intermediates of Dyes and Pigments; (2)Organic acids.
The properties of the chemical are: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.28; (4)ACD/LogD (pH 7.4): -6.28; (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: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 155.25 Å2; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 75.35 cm3; (15)Molar Volume: 191.8 cm3; (16)Polarizability: 29.87×10-24cm3; (17)Surface Tension: 92.4 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1c2c(ccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
(2)InChI: InChI=1/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
(3)InChIKey: INMHJULHWVWVFN-UHFFFAOYAM