Amaranth - 10mM in DMSO , CAS No.915-67-3

CAS: 915-67-3 Cat. No.: A426912 Formula: C₂₀H₁₁N₂Na₃O₁₀S₃ Molecular Weight: 604.47 Beilstein Registry Number: 4122311 EC Number: 213-022-2

GRADE & PURITY 10mM in DMSO

Synonyms

AMARANTH|915-67-3|Acid red 27|Azorubin S|C.I. Acid Red 27|Amaranth (dye)|C.I. Food Red 9|Amaranth Dye|FD & C Red No. 2|Red No. 2|Food Red 9|Bordeaux S|Food red 2|C.I. 16185|FD&C Red No. 2|Amaranthe|Amacid Amaranth|Edicol Amaranth|Kayaku Amaranth|Rakuto Am

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

AMARANTH | 915-67-3 | Acid red 27 | Azorubin S | C.I. Acid Red 27 | Amaranth (dye) | C.I. Food Red 9 | Amaranth Dye | FD & C Red No. 2 | Red No. 2 | Food Red 9 | Bordeaux S | Food red 2 | C.I. 16185 | FD&C Red No. 2 | Amaranthe | Amacid Amaranth | Edicol Amaranth | Kayaku Amaranth | Rakuto Am

Specifications & Purity

10mM in DMSO

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528775190

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+]

IUPAC Name

trisodium;3-hydroxy-4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate

InChIKey

WLDHEUZGFKACJH-UHFFFAOYSA-K

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

Isomeric 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+]

WGK Germany

3

RTECS

QJ6550000

Molecular Weight

604.47

Beilstein

4122311

Reaxy-Rn

4122311

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4122311&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass 1,1'-azonaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: 1,1'-azonaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,1'-azonaphthalenes
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1,1'-azonaphthalene - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic sodium salt - Organic salt - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,1'-azonaphthalenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to the 1-position of a naphthalene ring system. Naphthalene is a compound made up of two fused benzene rings.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Melt Point(°C): 218-220°C
• Molecular Weight: 604.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 603.927 Da
• Monoisotopic Mass: 603.927 Da
• Topological Polar Surface Area: 242.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1080.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

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