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Brown HT

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Name

Brown HT

EINECS 224-924-0
CAS No. 4553-89-3 Density 0.816[at 20℃]
PSA 241.29000 LogP 7.69710
Solubility 99.418g/L at 25℃ Melting Point N/A
Formula C27H20N4O9S2.2Na Boiling Point N/A
Molecular Weight 652.56300 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4553-89-3 (disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate) Hazard Symbols N/A
Synonyms

1-Naphthalenesulfonicacid, 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bis-,disodium salt (9CI);C.I. Food Brown 3, disodium salt(8CI);Brown HT;Edicol Brown HT;Hexacol Chocolate Brown HT;

 

Brown HT Chemical Properties

Molecular Formula: C27H18N4Na2O9S2
Molar mass: 652.56276 g/mol
EINECS: 224-924-0
Appearance: Brown powder or granules
Solubility: Soluble in water, Not soluble in ethanol
Structure of C.I. Food Brown 3, disodium salt (4553-89-3):
                
H-Bond Donor: 3
H-Bond Acceptor: 13
IUPAC Name: Disodium
4-[(2E)-2-[(5E)-3-(hydroxymethyl)-2,
6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-3-en-1-
ylidene]hydrazinyl]naphthalene-1-sulfonate
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=
C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+]
Isomeric SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N/N=C/3\C=C(C(=O)/C(=N\NC4=CC=C(C5=
CC=CC=C54)S(=O)(=O)[O-])/C3=O)CO.[Na+].[Na+]
InChI: 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;;/h1-13,28-29,32H,14H2,(H,35,36,37)(H,38,39,
40);;/q;2*+1/p-2/b30-22+,31-25+;; 
InChIKey: TUQJHVRCALPCHU-CRVUNLCOSA-L

Brown HT Uses

 C.I. Food Brown 3, disodium salt (4553-89-3) can be used of edible brown pigment.

Brown HT Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 4, Pg. 143, 1966.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 4, Pg. 143, 1966.
rat LD50 intraperitoneal 375mg/kg (375mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 4, Pg. 143, 1966.
rat LD50 oral > 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 4, Pg. 143, 1966.

Brown HT Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.

Brown HT Specification

 C.I. Food Brown 3, disodium salt (4553-89-3) also can be called Hned potravinarska 3 [Czech] ; C.I. Food Brown 3 ; Certicol Brown N Extra ; Brown HT ; Hexacol Brown HT ; Hned potravinarska 3 .

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