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Fluorescent Brightener 220, Technical Grade

CAT: 0572-TRC-F597828-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F597828-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16470-24-9
Synonyms
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]-, sodium salt (1:4); 2,2’-Stilbenedisulfonic acid, 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-, tetrasodium salt (7CI,8CI); 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]-, tetrasodium salt (9CI); BLB; Belofor OB; Blancofor BBU; Blankophor BBU; Blankophor P/BBU; Blankophor Z-JPN; C.I. 40623; C.I. Fluorescent Brightener 220; Kahablanc APU; Keyfluor White CN; Leucophor U; Photine CPK; SCRI Renaissance 2200; Sandoz CD; Tetrasodium 4,4'-bis[2-di(β-hydroxyethyl)amino-4-(4-sulfophenylamino)-s-triazin-6-ylamino]stilbine-2,2'-disulfonate
Hazard Statement
No Data Available
Smiles
OCCN(C1=NC(NC2=CC=C(S(=O)(O[Na])=O)C=C2)=NC(NC3=C(S(=O)(O[Na])=O)C=C(/C=C/C4=CC(S(=O)(O[Na])=O)=C(NC5=NC(NC6=CC=C(S(=O)(O[Na])=O)C=C6)=NC(N(CCO)CCO)=N5)C=C4)C=C3)=N1)CCO
Molecular Formula
C40H40N12Na4O16S4
Molecular Weight
1165.04
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Fluorescent Brightener 220
CAS Number16470-24-9
PubChem CID6850780
IUPAC Nametetrasodium;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
Molecular FormulaC40H40N12Na4O16S4
Molecular Weight1165.0
Topological Polar Surface Area475
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count28
Rotatable Bond Count20
Heavy Atom Count76
Formal Charge0
Complexity1940
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+]
InChI
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+;;;;
InChIKey
CPZFDTYTCMAAQX-MBCFVHIPSA-J
Chemical Structure
2D Structure
2D structure of Fluorescent Brightener 220
CAS: 16470-24-9
CID: 6850780
Formula: C40H40N12Na4O16S4
MW: 1165.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1165.0
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count28
Rotatable Bond Count20
Exact Mass1164.1158851
Monoisotopic Mass1164.1158851
Topological Polar Surface Area475 Ų
Heavy Atom Count76
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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