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| CAS No.: | 2861-02-1 |
|---|---|
| Name: | CI 63010 |
| Molecular Structure: | |
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| Formula: | C14H10N2O10S2·2Na |
| Molecular Weight: | 474.33 |
| Synonyms: | 2,6-Anthracenedisulfonicacid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, disodium salt(8CI,9CI);2,6-Anthraquinonedisulfonic acid, 4,8-diamino-1,5-dihydroxy-,disodium salt (6CI);1,5-Dihydroxy-4,8-diaminoanthraquinone-2,6-disulfonicacid, disodium salt;Acid Alizarine Sapphire B;Acid Blue 45;Acid Leather BlueCB;Acid Light Blue B;Acilan Sapphirol B;Airedale Blue B;Alizarin SapphirolB;Alizarine Blue BV;Alizarine Blue GS;Alizarine Blue MB;Alizarine Blue SAPSpecial CF;Alizarine Blue SAP-CF;Alizarine Blue SAPR-CF;Alizarine BrilliantBlue 2BS;Alizarine Brilliant Blue G;Alizarine Light Blue B;Alizarine LightBlue BN;Alizarine Paper Blue BP;Alizarine Saphirol B;Alizarine Sapphire;Alizarine Sapphire BLN;Alizarine Sapphire BN;Anthraquinone Blue B;Anthraquinone Blue BN;Anthraquinone Blue BP;Best Acid Brilliant Blue BS;Bucacid Blue BL;2,6-Anthracenedisulfonicacid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, sodium salt (1:2);C.I. Acid Blue 45;Calcocid Alizarine Blue SAPB;Disodium 4,8-diamino-1,5-dihydroxyanthraquinone-2,6-disulfonate;Dyacid BlueGL;Dycosacid Blue B;Egacid Blue B;Egacid Blue BG;Eloxone Blue RL;ErioCyanine S;Erio Fast Cyanine S Conc;Ext D and C Blue No. 4;Fast Bond BlueGDS;Fenazo Light Blue;Kiton Fast Blue CB;Lerui Acid Blue B;Lissamine BlueB;Lissamine Blue BM;Lissamine Blue BN;Mitsui Alizarine Saphirol B;MultacidBlue B;Naphthazine Brilliant Blue 2BS;Oxanal Fast Blue CB;Quinizol Blue BP;Sandolan Blue E-BL;Sandolan Blue E-BLI;Simacid Blue 24911;Sodium4,8-diamino-1,5-dihydroxyanthraquinone-2,6-disulfonate;Solway Blue BN;SuracidBlue BGL;Tertracid Light Blue B;Triacid Light Blue B;Vicoacid Blue 45;Vondacid Light Blue BG;Vondacid Light Blue BN; |
| EINECS: | 220-678-3 |
| Density: | 1.831g/cm3 at 20.08℃ |
| Melting Point: | >300 °C(lit.) |
| Flash Point: | >300ºC |
| Appearance: | dark purple-brown powder |
| Hazard Symbols: |
 Xn
|
| Safety: | 24/25 |
| PSA: | 257.80000 |
| LogP: | 2.16980 |
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Specification
The C.I. 63010, with the CAS registry number 2861-02-1, is also known as 1,5-Dihydroxy-4,8-diaminoanthraquinone-2,6-disulfonicacid, disodium salt. It belongs to the product categories of Dyes and Pigments; Organics. Its EINECS number is 220-678-3. This chemical's molecular formula is C14H10N2O10S2·2Na and formula weight is 474.33. What's more, its IUPAC name is disodium 4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonate. Its classification code is Drug/Therapeutic Agent. When using it, you should avoid contacting with skin and eyes.
Physical properties of C.I. 63010 are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -4.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 12; (8)#H bond donors: 8; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 184.58 Å2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C2=C(C(=C1S(=O)(=O)[O-])O)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)[O-])O)N.[Na+].[Na+]
(2)InChI: InChI=1S/C14H10N2O10S2.2Na/c15-3-1-5(27(21, 22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
(3)InChIKey: WSALIDVQXCHFEG-UHFFFAOYSA-L
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2900mg/kg (2900mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 92, 1988. | |
| rat | LD | oral | > 10gm/kg (10000mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 93, 1988. | |
| rat | LD50 | intraperitoneal | 1300mg/kg (1300mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 93, 1988. |