Fluorescent Brightener 220 - Fluorescence intensity 100% , CAS No.16470-24-9

CAS: 16470-24-9 Cat. No.: F305107 Molecular Weight: 1165.03 EC Number: 240-521-2

GRADE & PURITY Fluorescence intensity 100%

Synonyms

Fluorescent Brightener 220|16470-24-9|C.I. Fluorescent Brightener 220|Leucophor U|Blankophor BBU|Blancofor BBU|25E83C4F3U|Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, t

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Fluorescent Brightener 220 | 16470-24-9 | C.I. Fluorescent Brightener 220 | Leucophor U | Blankophor BBU | Blancofor BBU | 25E83C4F3U | Benzenesulfonic acid, 2, 2'-(1, 2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1, 3, 5-triazin-2-yl]amino]-, t

Specifications & Purity

Fluorescence intensity 100%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504764311
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764311
• Canonical Smiles: C1=CC(=CC=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: tetrasodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
• InChIKey: CPZFDTYTCMAAQX-MBCFVHIPSA-J
• INCHI: 1S/C40H44N12O16S4.4Na/c53-19-15-51(16-20-54)39-47-35(41-27-7-11-31(12-8-27)69(57,58)59)45-37(49-39)43-29-5-3-25(33(23-29)71(63,64)65)1-2-26-4-6-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(17-21-55)18-22-56)42-28-9-13-32(14-10-28)70(60,61)62;;;;/h1-14,23-24,53-56H,15-22H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4/b2-1+
• Isomeric SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• Molecular Weight: 1165.03
• Reaxy-Rn: 30360629
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30360629&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes
      • Subclass Sulfonated stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Sulfonated stilbenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonated stilbenes
• Alternative Parents: Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Styrenes Aniline and substituted anilines Dialkylarylamines N-aliphatic s-triazines 1,3,5-triazines Sulfonyls Organosulfonic acids Heteroaromatic compounds Secondary amines Alkanolamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Sulfonated stilbene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Styrene - Dialkylarylamine - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Monocyclic benzene moiety - Benzenoid - Triazine - 1,3,5-triazine - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanolamine - Secondary amine - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic nitrogen compound - Organic sodium salt - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either 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

• Molecular Weight: 1165.000 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 28
• Rotatable Bond Count: 20
• Exact Mass: 1164.12 Da
• Monoisotopic Mass: 1164.12 Da
• Topological Polar Surface Area: 475.000 Ų
• Heavy Atom Count: 76
• Formal Charge: 0
• Complexity: 1940.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 5

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