CAS No.6409-77-4,NUCLEAR FAST RED Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6409-77-4
Name:	NUCLEAR FAST RED

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

Synthetic route

: 6409-77-4
Nuclear Fast Red

: C14H12NO7S(1-)*Na(1+)

Conditions

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