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Name Spadns EINECS 245-803-9
CAS No. 23647-14-5 Density
Solubility Soluble in water Melting Point >300 °C
Formula C16H9N2Na3O11S3 Boiling Point
Molecular Weight 570.40 Flash Point
Transport Information Appearance dark red-brown crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 23647-14-5 (2,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-3-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)) Hazard Symbols IrritantXi
Synonyms

2,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-3-[(4-sulfophenyl)azo]-, trisodium salt (9CI);2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[(p-sulfophenyl)azo]-,trisodium salt (8CI);1,8-Dihydroxy-2-[4-sulfophenylazo]-naphthalene-3,6-disulfonic acid;3-(4-Sulfophenylazo)-4,5-dihydroxynaphthalene-2,7-disulfonic acid trisodiumsalt;Trisodium2-(p-sulfophenylazo)-1,8-dihydroxynaphthalene-3,6-disulfonate;

 

Specification

The 2,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-3-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3), with the CAS registry number 23647-14-5, is also known as Trisodium 2-(4-sulfophenylazo)-1,8-dihydroxynaphthalene-3,6-disulfonate. It belongs to the product categories of Organics; Analytical Chemistry; Azo Compounds; Chelating Reagents; Naphthylazo Compounds. Its EINECS registry number is 245-803-9. This chemical's molecular formula is C16H9N2Na3O11S3 and molecular weight is 245-803-9. Its IUPAC name is called trisodium 5-hydroxy-4-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate.

Physical properties of 2,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-3-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3): (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 13; (3)Rotatable Bond Count: 2; (4)Tautomer Count: 24; (5)Exact Mass: 569.906155; (6)MonoIsotopic Mass: 569.906155; (7)Topological Polar Surface Area: 258; (8)Heavy Atom Count: 35; (9)Formal Charge: 0; (10)Complexity: 1090; (11)Undefined Bond StereoCenter Count: 1; (12)Covalently-Bonded Unit Count: 4.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1NN=C2C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
(2)InChI: InChI=1S/C16H12N2O11S3.3Na/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,17,19H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
(3)InChIKey: LSAWBVPBZOEGOT-UHFFFAOYSA-K

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