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| CAS No.: | 6409-77-4 |
|---|---|
| Name: | NUCLEAR FAST RED |
| Molecular Structure: | |
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|
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| Formula: | C14H8NNaO7S |
| Molecular Weight: | 357.27 |
| Synonyms: | 2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, monosodium salt(8CI,9CI);C.I. 60760;Helio Fast Rubine BBL;Nuclear Fast Red;Nuclear FastRed (acid dye);Sodium 1,3-dihydroxy-4-aminoanthraquinone-2-sulfonate;Calcin red; |
| EINECS: | 229-088-0 |
| Melting Point: | 300 °C |
| Appearance: | crystalline powder |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-36-20/21/22 |
| Safety: | 26-36-37/39 |
| PSA: | 166.20000 |
| LogP: | 2.02150 |
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- 6409-77-4
Nuclear Fast Red
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; silver nitrate In water at 20℃; for 2h; |
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Specification
The 2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, sodium salt (1:1) is an organic compound with the formula C14H8NNaO7S. The IUPAC name of this chemical is sodium 4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonate. With the CAS registry number 6409-77-4, it is also named as 4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid, sodium salt. The product's categories are Aminoanthraquinones; Anthraquinones; Anthraquinonesulfonic Acids; Hydroxyanthraquinones. Besides, it is crystalline powder.
Physical properties about 2-Anthracenesulfonicacid, 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, sodium salt (1:1) are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): -0.93; (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: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 118.59 Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c3c(O)c(c2C(=O)c1ccccc1C(=O)c2c3O)N
(2)InChI: InChI=1/C14H9NO7S.Na/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);/q;+1/p-1
(3)InChIKey: IFSXZLJQEKGQAF-REWHXWOFAD
(4)Std. InChI: InChI=1S/C14H9NO7S.Na/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);/q;+1/p-1
(5)Std. InChIKey: IFSXZLJQEKGQAF-UHFFFAOYSA-M