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Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-,sodium salt (1:4) (28950-61-0)

Identification
Name:Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-,sodium salt (1:4)
Synonyms:2,2'-Stilbenedisulfonicacid, 4,4'-bis[[4-morpholino-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-,tetrasodium salt (8CI);Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-,tetrasodium salt (9CI);C.I. Fluorescent Brightener 210;C.I. FluorescentBrightener 211;Photine BTM;
CAS:28950-61-0
EINECS: 249-323-0
Molecular Formula: C40H36N12Na4O14S4
Molecular Weight: 1129.00
InChI: InChI=1/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;;;/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4/b2-1+;;;;
Molecular Structure: (C40H36N12Na4O14S4) 2,2'-Stilbenedisulfonicacid, 4,4'-bis[[4-morpholino-6-(p-sulfoanilino)-s-triazin-2-yl]amino]-,tetras...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Appearance:Light yellow or milky-white powder
Specification:

The CAS register number of Fluorescent Brightener 210 is 28950-61-0. It also can be called as Tetrasodium 4,4'-bis[[4-morpholino-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate and the systematic name about this chemical is tetrasodium 2,2'-(E)-ethene-1,2-diylbis[5-({4-morpholin-4-yl-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate]. The molecular formula about this chemical is C40H36N12Na4O14S4 and the molecular weight is 1129.00.

Physical properties about Fluorescent Brightener 210 are: (1)#H bond acceptors: 26; (2)#H bond donors: 8; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 412.72Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)Nc8ccc(/C=C/c4ccc(cc4S([O-])(=O)=O)Nc6nc(nc(Nc5ccc(cc5)S([O-])(=O)=O)n6)N7CCOCC7)c(c8)S([O-])(=O)=O
(2)InChI: InChI=1/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;;;/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4/b2-1+;;;;
(3)InChIKey: UOLRZRKZXIOJRT-ODOFUDOCBK
(4)Std. InChI: InChI=1S/C40H40N12O14S4.4Na/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58;;;;/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;/q;4*+1/p-4/b2-1+;;;;
(5)Std. InChIKey: UOLRZRKZXIOJRT-MBCFVHIPSA-J

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 10gm/kg (10000mg/kg)   MVC-Report. Vol. 2, Pg. 193, 1973.
rat LD50 skin > 4mL/kg (4mL/kg)   MVC-Report. Vol. 2, Pg. 193, 1973.

Flash Point: °C
Safety Data
 

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