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Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)

HCID 6436733
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
41098-56-0
Standard SMILES
CCN(CC)c1nc(Nc2ccc(/C=C/c3ccc(Nc4nc(Nc5cc(S(=O)(=O)[O-])ccc5S(=O)(=O)[O-])nc(N(CC)CC)n4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)nc(Nc2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])n1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKey
KMPSLWWDIJFERN-PTNBLCRGSA-H
Molecular formula
C40H38N12Na6O18S6
Average molar mass
1,305.1 g/mol
Monoisotopic mass
1,304.0137451

Names & identifiers

Preferred name
Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)
IUPAC
hexasodium;2-[[4-(diethylamino)-6-[4-[(E)-2-[4-[[4-(diethylamino)-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
English name
Fluorescent Brightener 357
Molecular formula
C40H45N12NaO18S6
Molecular weight
1197.22

Names & synonyms

1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(diethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium saltHexasodium 2,2'-(vinylenebis((3-sulphonato-4,1-phenylene)imino(6-(diethylamino)-1,3,5-triazine-4,2-diyl)imino))bis(benzene-1,4-disulphonate)1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(diethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-, sodium salt (1:6)Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, sodium salt (1:6)RefChem:787447255-217-5Tinopal CH 366941098-56-0Fluorescent Brightener 357hexasodium;2-[[4-(diethylamino)-6-[4-[(E)-2-[4-[[4-(diethylamino)-6-(2,5-disulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate

Properties

Computed structural properties

Topological polar surface area
525 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
30
Rotatable bonds
16
Heavy atoms
82
Formal charge
0
Complexity
2,380

Experimental & physicochemical properties

Physical DescriptionDry Powder; Liquid

Physicochemical properties

Density
1.64 · 1.64[at 20℃]
vapor pressure
0 · 0-0Pa at 25℃
Water Solubility
201.1 g/L · 201.1g/L at 20℃
LogP
-8.53 · -8.53--1.97 at 23℃
EPA Substance Registry System
1 · 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt (41098-56-0)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
TSCA
TSCA listed
REACH Registrations
Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 98.7% (153 of 155) of all reports.

Not Classified

Aggregated GHS information provided per 155 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 4 items

Chemical: 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt

1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, sodium salt (1:6) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, sodium salt (1:6) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate) (EC: 255-217-5)

1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 7,000,000 - <8,500,000 lb
Consumer UsesBrightener
Industry UsesBrightener
General Manufacturing Information · 2 items

Paper Manufacturing

1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, sodium salt (1:6): ACTIVE

Applications · 1 item

UsesFluorescent (optical) brighteners are known for their characteristics of protecting baculoviruses against deactivation by UV light and enhancing the activity of these agents as microbial insecticides on hosts and semipermissive hosts. Fluorescent brighteners improve the bioinsecticidal activity of Anticarsia gemmatalis nucleopolyhedrovirus.

Suppliers31 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Henghe Import and Export Trading Co. LTD+8618032935937 18032916000 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Show more names
Kaycoll PKtinopal scpTinopal STPHEXA SULPHONICHexa-sulphonic acidOPTICAL BRIGHTENER HST-XFLUORESCENT BRIGHTENER HSTXYYVSZDCNRHKHK-VSFDCYDOSA-NFLUORESCENT BRIGHTENER HST-X
EINECS 255-217-5FluorescentBrightener357EC 255-217-51,4-Benzenedisulfonic acid,2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(diethylamino)-1,3,5-triazine-4,2-diyl)imino))bis-,hexasodium salt2,2'-(1,2-Ethenediyl)bis(5-((4-(diethylamino)-6-((2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid, hexasodium saltSCHEMBL1296113MSK000488-100WMSK000488-1000W

Database identifiers

CAS
41098-56-0、83512-97-4
PubChem CID
6436733
EC Number
255-217-5
GHS07
Hazard statements
H302-H315-H319-H335
REACH Registrations
Active
Precautionary statements
P280-P305+P351+P338
江西洛特化工有限公司
+8615270827708 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江西洛特化工有限公司0791-0791-85061535 15270827708 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
重庆卡兰医药有限公司[email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]