Products 4499-01-8

CAS 4499-01-8 is the registry number for Reactive Blue 4 (sodium). Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

Disodium;1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate (CAS 4499-01-8) is a chemical compound with the molecular formula C23H12Cl2N6Na2O8S2 and a molecular weight of 681.4 g/mol. IUPAC name: disodium;1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate. InChIKey: DHHMYWVFMSHEIP-UHFFFAOYSA-L.

Identity
Molecular formulaC23H12Cl2N6Na2O8S2
Molecular weight681.4 g/mol
IUPAC namedisodium;1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
InChIKeyDHHMYWVFMSHEIP-UHFFFAOYSA-L
SMILESC1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)[O-])N.[Na+].[Na+]

Computed by PubChem (NCBI)