Chocolate Brown HT (Technical Grade)

CAS: 4553-89-3

Ref. TR-C440000

Product Information

• Name: Chocolate Brown HT (Technical Grade)
• Synonyms: 1-Naphthalenesulfonic acid, 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(2,1-diazenediyl)]bis-, sodium salt (1:2), 1-Naphthalenesulfonic acid, 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bis-, disodium salt (9CI), C.I. Food Brown 3 (7CI), C.I. Food Brown 3, disodium salt (8CI), 1538 Brown, Brown HT, C.I. 20285, Certicol Brown N Extra, Certicol Brown RS, Chocolate Brown HT, E 155, Edicol Brown HT, Hexacol Chocolate Brown HT, 1-Naphthalenesulfonic acid, 4,4′-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(2,1-diazenediyl)]bis-, sodium salt (1:2), 1-Naphthalenesulfonic acid, 4,4′-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bis-, disodium salt, Chocolate brown HT, disodium 4-[(2E)-2-{(5Z)-3-(hydroxymethyl)-2,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazono]cyclohex-3-en-1-ylidene}hydrazino]naphthalene-1-sulfonate
• CAS: 4553-89-3

Description

Applications Chocolate Brown HT (CAS# 4553-89-3) is a synthetic organic food colourant, and a long-term carcinogen.
References Amchova, P.; et al.: Regul. Toxicol. Pharm., 73, 914 (2015); Aguilar, F.; et al.: EFSA Journal, 8, 1536 (2010).

• Brand: TRC

Chemical properties

• Molecular weight: 652.56
• Formula: C₂₇H₁₈N₄Na₂O₉S₂
• Color/Form: Pale Brown to Black Solid
• InChI: , /q, 2*+1/p-2/b30-28+,31-29+, InChI=1S/C27H20N4O9S2.2Na/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21, /h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40),
• InChI key: InChIKey=BIRIBMFCDVVRKL-DBHLKOEUSA-L
• SMILES: O=S(=O)(O[Na])c1ccc(/N=N/c2cc(CO)c(O)c(/N=N/c3ccc(S(=O)(=O)O[Na])c4ccccc34)c2O)c2ccccc12