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Product No: CS0008

Sodium 3-hydroxy-4-((4-sulfonatonaphthalen-1-yl)diazenyl)naphthalene-2,7-disulfonate, 85%

Name: Sodium 3-hydroxy-4-((4-sulfonatonaphthalen-1-yl)diazenyl)naphthalene-2,7-disulfonate
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

915-67-3

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About this item

IUPAC name	trisodium;3-hydroxy-4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
canonical smiles	C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
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;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
inchi key	WLDHEUZGFKACJH-UHFFFAOYSA-K
molecular formula	C20H11N2O10S3.3Na
synonyms	AMARANTH 915-67-3 Acid red 27 Azorubin S C.I. Acid Red 27
Compound Description	Amaranth is a dark red to dark purple powder. Almost no odor. Tastes salty. pH approximately 10.8. Used to dye wool and silk bright bluish-red from an acid bath. Amaranth is an organic molecular entity. A sulfonic acid-based naphthylazo dye used as a coloring agent for foodstuffs and medicines and as a dye and chemical indicator. It was banned by the FDA in 1976 for use in foods, drugs, and cosmetics.

Computed Properties

Molecular Weight:	604.5 g/mol
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	12
Rotatable Bond Count:	2
Exact Mass:	603.92689092 g/mol
Monoisotopic Mass:	603.92689092 g/mol
Topological Polar Surface Area:	242 Å²
Heavy Atom Count:	38
Formal Charge:	0
Complexity:	1080
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	4
Compound Is Canonicalized:	Yes

Related Compounds

Amaranth

Sunset Yellow FCF

Ponceau 4R

Carmoisine

Ponceau 3R

Orange G

Acid Red 26

Ponceau MX

Ponceau S

Ponceau 2R

Calcon

CID 135980016

Tetrasodium 3-hydroxy-4-(2-sulphonato-4-(4-sulphonatophenylazo)phenylazo)naphthalene-2,7-disulphonate

4-((2-Hydroxy-1-naphthyl)azo)naphthalenesulphonic acid

Acid red 41

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (38.91%) Eye Irrit. 2 (99.55%) STOT SE 3 (38.91%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (38.91%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (99.55%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (38.91%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	No significant differences between controls and high-dose rats fed amaranth at 1500 mg/kg bw for 2 and 1/2 years. An irritant. May be harmful if swallowed.

symptoms
carcinogen classification	IARC Carcinogenic Agent: Amaranth
carcinogen classification	IARC Carcinogenic Classes: Group 3: Not classifiable as to its carcinogenicity to humans
carcinogen classification	IARC Monographs: Volume 8: Some Aromatic Azo CompoundsVolume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	trisodium;3-hydroxy-4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
canonical smiles	C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
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;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3
inchi key	WLDHEUZGFKACJH-UHFFFAOYSA-K
molecular formula	C20H11N2O10S3.3Na
synonyms	AMARANTH 915-67-3 Acid red 27 Azorubin S C.I. Acid Red 27
Compound Description	Amaranth is a dark red to dark purple powder. Almost no odor. Tastes salty. pH approximately 10.8. Used to dye wool and silk bright bluish-red from an acid bath. Amaranth is an organic molecular entity. A sulfonic acid-based naphthylazo dye used as a coloring agent for foodstuffs and medicines and as a dye and chemical indicator. It was banned by the FDA in 1976 for use in foods, drugs, and cosmetics.

Computed Properties

Molecular Weight:	604.5 g/mol
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	12
Rotatable Bond Count:	2
Exact Mass:	603.92689092 g/mol
Monoisotopic Mass:	603.92689092 g/mol
Topological Polar Surface Area:	242 Å²
Heavy Atom Count:	38
Formal Charge:	0
Complexity:	1080
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	4
Compound Is Canonicalized:	Yes

Related Compounds

Amaranth

Sunset Yellow FCF

Ponceau 4R

Carmoisine

Ponceau 3R

Orange G

Acid Red 26

Ponceau MX

Ponceau S

Ponceau 2R

Calcon

CID 135980016

Tetrasodium 3-hydroxy-4-(2-sulphonato-4-(4-sulphonatophenylazo)phenylazo)naphthalene-2,7-disulphonate

4-((2-Hydroxy-1-naphthyl)azo)naphthalenesulphonic acid

Acid red 41

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (38.91%) Eye Irrit. 2 (99.55%) STOT SE 3 (38.91%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (38.91%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (99.55%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (38.91%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	No significant differences between controls and high-dose rats fed amaranth at 1500 mg/kg bw for 2 and 1/2 years. An irritant. May be harmful if swallowed.

symptoms
carcinogen classification	IARC Carcinogenic Agent: Amaranth
carcinogen classification	IARC Carcinogenic Classes: Group 3: Not classifiable as to its carcinogenicity to humans
carcinogen classification	IARC Monographs: Volume 8: Some Aromatic Azo CompoundsVolume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0

Product No: CS0008

Sodium 3-hydroxy-4-((4-sulfonatonaphthalen-1-yl)diazenyl)naphthalene-2,7-disulfonate, 85%

Product No: CS0008

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CS0008

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

Require a Sample Certificate of Analysis (COA) ?