8-Hydroxypyrene-1,3,6-trisulfonic acid supplier

Name
8-Hydroxypyrene-1,3,6-trisulfonicacidtrisodiumsalt
EINECS
CAS No. 27928-00-3
Article Data3
CAS DataBase
Density 2.004 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₀O₁₀S₃
Boiling Point
Molecular Weight 458.447
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Hydroxypyrene-3,6,8-trisulfonicacid;8-Hydroxypyrene-1,3,6-trisulfonic acid;
PSA 208.48000
LogP 5.27210

8-Hydroxypyrene-1,3,6-trisulfonic acid Specification

The 8-Hydroxypyrene-1,3,6-trisulfonic acid, with the CAS registry number 27928-00-3, is also known as 1,3,6-Pyrenetrisulfonic acid, 8-hydroxy-. This chemical's molecular formula is C₁₆H₁₀O₁₀S₃ and molecular weight is 458.4396. Its systematic name is called 8-hydroxypyrene-1,3,6-trisulfonic acid.

Physical properties of 8-Hydroxypyrene-1,3,6-trisulfonic acid: (1)ACD/LogP: -0.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.44; (4)ACD/LogD (pH 7.4): -6.68; (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: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.874; (13)Molar Refractivity: 104.25 cm³; (14)Molar Volume: 228.7 cm³; (15)Surface Tension: 116.5 dyne/cm; (16)Density: 2.004 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c4cc(c2ccc1c(cc(O)c3c1c2c4cc3)S(=O)(=O)O)S(=O)(=O)O
(2)InChI: InChI=1/C16H10O10S3/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26)
(3)InChIKey: OBJOZRVSMLPASY-UHFFFAOYAW

Product Name

8-Hydroxypyrene-1,3,6-trisulfonicacidtrisodiumsalt

8-Hydroxypyrene-1,3,6-trisulfonic acid Specification

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