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Name |
1,3-Naphthalenedisulfonicacid, 4-amino-5-hydroxy- |
EINECS | 201-425-6 |
CAS No. | 82-47-3 | Density | 1.88 g/cm3 |
PSA | 171.75000 | LogP | 3.36380 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9NO7S2 | Boiling Point | N/A |
Molecular Weight | 319.316 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Amino-8-naphthol-2,4-disulfonic acid; |
Article Data | 8 |
The 1,3-Naphthalenedisulfonicacid, 4-amino-5-hydroxy-, with the CAS registry number 82-47-3, is also known as 1-Amino-8-naphthol-2,4-disulfonic acid. It belongs to the product categories of Intermediates of Dyes and Pigments. Its EINECS registry number is 201-425-6. This chemical's molecular formula is C10H9NO7S2 and molecular weight is 319.311. What's more, both its IUPAC name and systematic name are the same which is 4-Amino-5-hydroxynaphthalene-1,3-disulfonic acid.
Physical properties about 1,3-Naphthalenedisulfonicacid, 4-amino-5-hydroxy- are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.35; (4)ACD/LogD (pH 7.4): -4.39; (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: 8; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 115.97 Å2; (13)Index of Refraction: 1.764; (14)Molar Refractivity: 70.15 cm3; (15)Molar Volume: 169.8 cm3; (16)Polarizability: 27.81×10-24 cm3; (17)Surface Tension: 104.7 dyne/cm; (18)Density: 1.88 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1c(N)c2c(c(c1)S(=O)(=O)O)cccc2O
(2) InChI: InChI=1/C10H9NO7S2/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)
(3) InChIKey: ZFRBZRZEKIOGQI-UHFFFAOYAA