CAS No.3861-73-2,ACID BLUE 92 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3861-73-2
Name:	ACID BLUE 92

Formula:	C₂₆H₁₆N₃O₁₀S₃^.3Na
Molecular Weight:	695.594
Synonyms:	2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[[4-(phenylamino)-5-sulfo-1-naphthalenyl]azo]-, trisodiumsalt (9CI);Acid Blue 2K (6CI);C.I. Acid Blue 92 (7CI);C.I. Acid Blue 92,trisodium salt (8CI);Acid Blue 2R;Acid Blue 92;Acid Blue A;Acid Cyanine Blue R;Acid Dark Blue R;Acid Wool Blue RL;Acilan Fast Navy BlueR;Amacid Fast Blue R;Anazolene sodium;Apollo Nylon Fast Blue 2R;Best Acid Blue3R;Best Acid Fast Blue 3R;Bucacid Fast Wool Blue R;Calcocid Fast Blue SR;Caracid Cyanine Blue R Conc PDR;Colacid Blue A;Colocid Blue RL;Colocid Brilliant Blue RL;Colorosacid Blue 2R;Coriamin Blue RB;Covalene Blue R;Cyanine Acid Blue R;Dycosweak Acid Navy Blue R;Eniacid BrilliantBlue R;Euromina Blue CR;Everacid Blue R;Fast Acid Blue RL;Fenazo Blue SR;Hispacid Fast BlueR;Kemacid Sulphone Blue R;Lampronol Blue BR;Luxol Fast Blue ARN;Methasol Blue RL;NSC 47734;Pontacyl Fast Blue R;Sakolan Blue 2K;Sandolan Navy P-RL;Sepisol Fast Blue ARNF;Simacid Navy Blue 24913;Solvent Blue 37;Sulfone Acid Blue R;SulphonAcid Blue R;Sulphon Acid Blue RA;Sulphon Acid Blue RA Extra;Suminol FastNavy Blue R;Trisodium 4'-anilino-8-hydroxy-1,1'-azonaphthalene-3,6,5'-trisulfonate;Vicoacid Blue 92;Victacid Blue;Wool Blue RL;Wool FastBlue R;
EINECS:	223-378-0
Melting Point:	>300°C
Appearance:	purple-blue fine powder
Safety:	24/25
PSA:	245.23000
LogP:	8.91310

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Acid blue 92, with its cas register number 3861-73-2, has the IUPAC name of trisodium 4-[(4-anilino-5-sulfonatonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate. This is a kind of purple-blue fine powder, and is soluble in water. And its products categories are including Dyes and Pigments; Organics. When store it, keep it in the dry, cool and well-ventilated storeroom.

The characteristics of this chemical are as below: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -4.6; (4)ACD/LogD (pH 7.4): -4.6; (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: 13; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 225.44; (13)Tautomer Count: 24; (14)Exact Mass: 694.96909; (15)MonoIsotopic Mass: 694.96909; (16)Topological Polar Surface Area: 254; (17)Heavy Atom Count: 45; (18)Complexity: 1260.

The production method is as below: Prepare the material of 8-amino-1-naphthol-3,6-disulfonic acid and N-phenyl-1-naphthaleneamine-8-sulfonic acid, and firstly diazotize the 8-amino-1-naphthol-3,6-disulfonic acid and then couple with N-phenyl-1-naphthaleneamine-8-sulfonic acid to get the crude. Then go through the operation of salting out, filtering, drying and smashing to get the products.

As to its usage, it is widely applied in many way. It could be used in the dyeing of wool, silk, viscose acetal fibre, leather, paper and soap; It could also be used in the coloring of blend fabric.

And while dealing with this chemical, you had better take the following instructions. Do not breathe dust and then avoid contacting with skin and eyes.

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S
(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]
(2)InChI: InChI=1S/C26H19N3O10S3.3Na/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,
32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-
24(26)42(37,38)39;;;/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,
39);;;/q;3*+1/p-3

Below are the toxicity information which have been tested:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	420mg/kg (420mg/kg)	BEHAVIORAL: EXCITEMENT KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Toksikologicheskii Vestnik. Vol. (2), Pg. 34, 1998.
mouse	LD50	intravenous	450mg/kg (450mg/kg)		British Heart Journal. Vol. 21, Pg. 492, 1959.
mouse	LD50	oral	> 5gm/kg (5000mg/kg)	BEHAVIORAL: EXCITEMENT KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Toksikologicheskii Vestnik. Vol. (2), Pg. 34, 1998.
rat	LD50	intraperitoneal	1180mg/kg (1180mg/kg)	BEHAVIORAL: EXCITEMENT KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Toksikologicheskii Vestnik. Vol. (2), Pg. 34, 1998.
rat	LD50	oral	> 5gm/kg (5000mg/kg)	BEHAVIORAL: EXCITEMENT KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Toksikologicheskii Vestnik. Vol. (2), Pg. 34, 1998.