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| CAS No.: | 8004-92-0 |
|---|---|
| Name: | Quinoline Yellow |
| Molecular Structure: | |
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| Formula: | Unspecified |
| Molecular Weight: | 477.37500 |
| Synonyms: | 1,3-Isobenzofurandione,reaction products with methylquinoline and quinoline, sulfonated;Acid Yellow3;Acid Yellow QS;Basacid Yellow 094;Basovit Yellow 095E;C.I. 47005;C.I.Food Yellow 13;Cogilor Yellow 112.12;C Yellow 10;D and C Yellow No.10;C Yellow No. 10;C Yellow No. 10-307007;C Yellow No.10-38009;C Yellow No. 10-38012;C Yellow No. 10-90125;CYellow No. 10HWS307010;C Yellow No. 10W074;Dye Quinoline Yellow;E 104;E 104 (dye);Eurocert Quinoline Yellow 311744;FD and C Yellow No. 10;CYellow No. 10;Food Yellow No. 13;Japan Yellow 203;Lemon Yellow ZN 3;Neelicol Quinoline Yellow WS;Quinidine Yellow KT;Quinoline Yellow;QuinolineYellow 36012;Quinoline Yellow 38009;Quinoline Yellow 90125;Quinoline Yellow90145;Quinoline Yellow Certifiable 307006;Quinoline Yellow E 104;QuinolineYellow Extra;Quinoline Yellow Lake;Quinoline Yellow S;Quinoline Yellow WG-G;Quinoline Yellow WG-G conc;Quinolone Yellow Extra;Vitasyn Quinoline Yellow 70;Yellow No. 10;Yellow No. 203; |
| EINECS: | 232-318-2 |
| Melting Point: | 150ºC (Decomposes) |
| Solubility: | 225 g/L (20 ºC) |
| Appearance: | yellow to orange powder |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 24/25-36-26-22 |
| PSA: | 178.19000 |
| LogP: | 3.36740 |
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Consensus Reports
Specification
The C.I. Acid Yellow 3, with the cas register number 8004-92-0, has its IUPAC name of disodium 2-(1,3-dioxoinden-2-yl)quinoline-6,8-disulfonate. This is a kind of yellow to orange-brown powder and is soluble in water and slightly soluble in ethanol. It belongs to the product category of Quinolinecarboxylic Acids, etc.
The characteristics of this chemical are as below: (1)H-Bond Acceptor: 9; (2)Rotatable Bond Count: 1; (3)Tautomer Count: 3; (4)Exact Mass: 476.956497; (5)MonoIsotopic Mass: 476.956497; (6)Topological Polar Surface Area: 178; (7)Heavy Atom Count: 31; (8)Complexity: 853; (9)Covalently-Bonded Unit Count: 3.
You should be cautious while dealing with this chemical. This is a kind of harmful chemical which may cause damage to health. If swallowed, it will be very harmful. Besides, it is irritant to eyes, respiratory system and skin, and it may cause inflammation to the skin or other mucous membranes. So while using it, we should be very cautious. Wear suitable protective clothing and avoid contacting with skin and eyes. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
The following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)
[O-].[Na+].[Na+]
(2)InChI: InChI=1S/C18H11NO8S2.2Na/c20-17-11-3-1-2-4-12(11)18(21)15(17)13-6-5-9-7-
10(28(22,23)24)8-14(16(9)19-13)29(25,26)27;;/h1-8,15H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
(3)InChIKey: FZUOVNMHEAPVBW-UHFFFAOYSA-L
Below are the toxicity information which have been tested:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 2gm/kg (2000mg/kg) | Scientia Pharmaceutica. Vol. 47, Pg. 39, 1979. |