CAS No.2052-25-7,Mordant Black 9 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2052-25-7
Name:	Mordant Black 9

Formula:	C₁₆H₁₂N₂O₆S. Na
Molecular Weight:	382.32
Synonyms:	Benzenesulfonicacid, 3-[(1,5-dihydroxy-2-naphthalenyl)azo]-4-hydroxy-, monosodium salt (9CI);C.I. Mordant Black 9 (7CI);C.I. Mordant Black 9, monosodium salt (8CI);ChromeFast Black PV (6CI);Alizarine Chrome Black PV;Azochromol Black PV;Calcochrome BlackPV;Chrome BlackPV;Diacromo Black PV 2A;Diamond Black PV;Diamond Black PV 200;Diamond Black PVF;Diamond Red RV;Eriochrome Black PV;Hispacrom Black PV;Mordant Black PV;Omega Chrome Black VS;PontachromeBlack PV;Salicine Chrome Black PV;Yamada ChromeBlack PLW;
EINECS:	218-145-5
Density:	1.54[at 20℃]
Melting Point:	78 °C
Solubility:	48g/L at 20℃
Appearance:	Coffee powder
Hazard Symbols:	Xi
PSA:	148.16000
LogP:	4.69950

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Specification

The Mordant Black 9, with the CAS registry number 2052-25-7, has the IUPAC name of sodium 3-[2-(1,5-dioxonaphthalen-2-yl)hydrazinyl]-4-hydroxybenzenesulfonate. As to its usage, it is usually applied in the dyeing of wool and silk.

The characteristics of this chemical are as follows: (1)ACD/LogP: -2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.77; (4)ACD/LogD (pH 7.4): -5.8; (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: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 112.6; (13)Exact Mass: 382.023551; (14)MonoIsotopic Mass: 382.023551; (15)Topological Polar Surface Area: 144; (16)Heavy Atom Count: 26; (17)Complexity: 837; (18)Covalently-Bonded Unit Count: 2.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=O)C2=CC=C(C(=O)C2=C1)NNC3=C(C=CC(=C3)S(=O)(=O)[O-])O.[Na+]
(2)InChI: InChI=1S/C16H12N2O6S.Na/c19-14-3-1-2-11-10(14)5-6-12(16(11)21)17-18-13-8-9(25(22,23)24)4-7-15(13)20;/h1-8,17-18,20H,(H,22,23,24);/q;+1/p-1
(3)InChIKey: GJJYQFJLFUEXMR-UHFFFAOYSA-M