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CAS No.: | 5398-34-5 |
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Name: | 1-NAPHTHYLAMINE-3,6,8-TRISULFONIC ACID DISODIUM SALT HYDRATE |
Molecular Structure: | |
Formula: | C10H9NO9S3.2Na |
Molecular Weight: | 445.35 |
Synonyms: | 1,3,6-Naphthalenetrisulfonicacid, 8-amino-, disodium salt (8CI,9CI);8-Amino-1,3,6-naphthalenetrisulfonicacid disodium salt;Disodium 1-aminonaphthalene-3,6,8-trisulfonate;Disodium 8-amino-1,3,6-naphthalenetrisulfonate;Koch acid disodium salt hydrate;1,3,6 Napthalene trisulfonic acid;1-Naphthylamine-3,6,8-trisulfonic acid disodium salt hydrate; |
EINECS: | 204-188-7 |
Density: | 1.974 g/cm3 |
Melting Point: | 138?°C (dec.)(lit.) |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25 |
PSA: | 219.93000 |
LogP: | 3.30050 |
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The 1,3,6-Naphthalenetrisulfonicacid, 8-amino-, sodium salt (1:2), with the CAS registry number 5398-34-5, is also known as Koch acid disodium salt hydrate . Its EINECS number is 204-188-7. This chemical's molecular formula is C10H9NO9S3.2Na and molecular weight is 445.35. What's more, its systematic name is 1,3,6-Naphthalenetrisulfonate, 8-amino-, sodium salt (1:2). It is irritating to eyes, respiratory system and skin. When using it, you should avoid contact with skin and eyes and you can't breathe dust. The product is stable at room temperature and pressure, and it should be sealed and stored in containers placed in cool, ventilated and dry places.
Physical properties of 1,3,6-Naphthalenetrisulfonicacid, 8-amino-, sodium salt (1:2) are: (1)ACD/LogP: -2.31; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 191.49 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc(cc2cc(cc(N)c12)S([O-])(=O)=O)S([O-])(=O)=O
(2)InChI: InChI=1S/C10H9NO9S3.2Na/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;/q;2*+1/p-3
(3)InChIKey: KHJANRFXWPPWEL-UHFFFAOYSA-K