Reported in EPA TSCA Inventory.
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. |
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