CAS No.915-67-3,2,7-Naphthalenedisulfonicacid, 3-hydroxy-4-[2-(4-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:3) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	915-67-3
Name:	2,7-Naphthalenedisulfonicacid, 3-hydroxy-4-[2-(4-sulfo-1-naphthalenyl)diazenyl]-, sodium salt (1:3)

Formula:	C₂₀H₁₄N₂O₁₀S₃.3Na
Molecular Weight:	604.482
Synonyms:	Amaranth;2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt;3-Hydroxy-4-((4-sulfo-1-naphthalenyl)azo)-2,7-naphthalenedisulfon- ic acid, trisodium salt;1-(4-Sulfo-1-naphthylazo)-2-naphthol-3,6-disulfonic acid trisodium salt;2-Hydroxy-1,1'-azonaphthalene-3,6,4'-trisulfonic acid trisodium salt;Acetacid Red 2BR;Acid Amaranth N;Bordeaux S;C.I. Acid Red 27;
EINECS:	213-022-2
Density:	1.5 g/cm³
Melting Point:	>300 °C
Boiling Point:	N/A
Flash Point:	44ºC
Solubility:	50 g/L (20 °C) in water
Appearance:	Dark red solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	36/37/39
Transport Information:	N/A
PSA:	241.69000
LogP:	6.06870

Synthetic route

: 915-67-3
amaranth

: 84-86-6
4-amino-1-naphthalenesufonic acid

Conditions

Conditions	Yield
With α-D-glucose 6-phosphate; phosphate buffer pH 7.4; rat hepatic azoreductase; NADP In water at 37℃; Rate constant;

: 915-67-3
amaranth

A: disodium 1,2-naphthoquinone-3,6-disulfonate

B: 130-15-4
[1,4]naphthoquinone

Conditions

Conditions	Yield
With chlorine dioxide In water Kinetics; pH-value; Concentration;

: 915-67-3
amaranth

: 124-38-9
carbon dioxide

Conditions

Conditions	Yield
With C106H100Ag4I2N8P8S2(2+)*2I(1-); oxygen In water Kinetics; UV-irradiation;

Downstream Products

84-86-6

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 8 (1975),p. 41.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

Specification

The Acid Red 27 with CAS registry number of 915-67-3 is also known as Amaranth. The IUPAC name is Trisodium 3-oxo-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate. It belongs to product categories of Dyes and Pigments; Organics; Analytical Chemistry; Food Colors by Food Sanitation Law in Japan. Its EINECS registry number is 213-022-2. In addition, the formula is C₂₀H₁₄N₂O₁₀S₃.3Na and the molecular weight is 607.47. This chemical is a dark red solid that may cause inflammation to the skin or other mucous membranes. It is a suspected carcinogen. It should be sealed in cool, dry place. What's more, this chemical is used as food, medicines and cosmetics colorants.

Physical properties about Acid Red 27 are: (1)#H bond acceptors: 12; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 241.69 ?2; (5)Rotatable Bond Count: 2; (6)Tautomer Count: 3; (7)Exact Mass: 603.926891; (8)MonoIsotopic Mass: 603.926891; (9)Topological Polar Surface Area: 238; (10)Heavy Atom Count: 38; (11)Complexity: 1200; (12)Undefined Bond StereoCenter Count: 1; (13)Covalently-Bonded Unit Count 4.

Preparation of Acid Red 27: it is prepared by coincidence reaction of 2-naphthol-3,6-disulphonate (R salt) with 1-naphthylamine-4-acid after diazotization. The reaction occurs with alkaline conditions. At last, product is obtained by salting out and purification.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C4=C(C=C(C=C4)S(=O)(=O)[O-])C=C(C3=O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
2. InChI: InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,
25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
3. InChIKey: VOBHRQFELWTZFS-UHFFFAOYSA-K

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1gm/kg (1000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Food and Cosmetics Toxicology. Vol. 14, Pg. 163, 1976.
rat	LD50	intraperitoneal	1gm/kg (1000mg/kg)		Scientia Pharmaceutica. Vol. 47, Pg. 39, 1979.
rat	LD50	intravenous	1gm/kg (1000mg/kg)		Scientia Pharmaceutica. Vol. 47, Pg. 39, 1979.