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6537-66-2

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Basic Information
CAS No.: 6537-66-2
Name: DIRECT YELLOW 29
Molecular Structure:
Molecular Structure of 6537-66-2 (DIRECT YELLOW 29)
Formula: C42H24N6Na2O6S6
Molecular Weight: 947.05
Synonyms: C.I. DirectYellow 29 (7CI);C.I. Direct Yellow 29, disodium salt (8CI);[2,6'-Bibenzothiazole]-7-sulfonic acid,2',2'''-(azodi-4,1-phenylene)bis[6-methyl-, disodium salt (9CI);Amanil FastYellow BX;Atlantic Fast Yellow FFX;Benzanil Supra Yellow GX;C.I. 19556;Chloramine Yellow G;Chloramine Yellow R;Chrome Leather Yellow BRL;ChromeLeather Yellow OR;Cuprodiazol Light Yellow JR;Diamine Supra Yellow RT;Diaphtamine Fast Yellow B;Diazol Fast Yellow B;Diazol Light Yellow JMA;Direct Fast Light Yellow B;Direct Fast Yellow B;Direct Yellow 29;DurazolPaper Yellow GR;Durazol Yellow GR;Durazol Yellow GRP;Durazol Yellow GRS;Eliamina Yellow RT;Enianil Fast Yellow B;Enianil Light Yellow RT;FastusolYellow LRTP-CF;Fenaluz Yellow 2R;Helion Yellow BRL;Hispaluz Yellow B;KCALight Fast Yellow RT;Orbantin Yellow RT;Oxyphenine R;Pontamine Fast YellowBBL;Saturn Yellow LRT;Sirius Light Yellow RT;Sirius Supra Yellow RT;SolarYellow B;Solius Light Yellow RT;Solophenyl Yellow BRL;Solophenyl Yellow FL;Tertrodirect Fast Yellow RT;Tertrodirect Yellow CX;Tetramine Fast Yellow WBExtra;Triantine Fast Yellow RT;Triantine Light Yellow RT;C.I. Direct Yellow 29 (VAN);
EINECS: 229-448-7
Density: 1.66g/cm3
PSA: 320.40000
LogP: 13.79540
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  • 6537-66-2　DIRECT YELLOW 29

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    6537-66-2

    6537-66-2　DIRECT YELLOW 29

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Specification

The [2,6'-Bibenzothiazole]-7-sulfonicacid, 2',2'''-(1,2-diazenediyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2) is an organic compound with the formula C42H24N6Na2O6S6. The IUPAC name of this chemical is disodium 6-methyl-2-[2-[4-[[4-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-1, 3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-5-yl]-1, 3-benzothiazole-7-sulfonate. With the CAS registry number 6537-66-2, it is also named as disodium 2',2'''-(azodi-4,1-phenylene)bis[6-methyl[2,6'-bibenzothiazole]-7-sulphonate].

Physical properties about [2,6'-Bibenzothiazole]-7-sulfonicacid, 2',2'''-(1,2-diazenediyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2) are: (1)#H bond acceptors: 12; (2)#Freely Rotating Bonds: 12; (3)Polar Surface Area: 292.74 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na]OS(=O)(=O)c2c(C)ccc1nc(sc12)c3cc4nc(sc4cc3)c5ccc(cc5)N=Nc6ccc(cc6)c7nc8ccc(cc8s7)c9nc%10ccc(C)c(c%10s9)S(=O)(=O)O[Na]
(2)InChI: InChI=1/C42H26N6O6S6.2Na/c1-21-3-15-30-35(37(21)59(49,50)51)57-41(44-30)25-10-18-33-32(19-25)46-40(55-33)24-7-13-28(14-8-24)48-47-27-11-5-23(6-12-27)39-43-29-17-9-26(20-34(29)56-39)42-45-31-16-4-22(2)38(36(31)58-42)60(52,53)54;;/h3-20H,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/rC42H24N6Na2O6S6/c1-21-3-15-30-35(37(21)61(51,52)55-49)59-41(44-30)25-10-18-33-32(19-25)46-40(57-33)24-7-13-28(14-8-24)48-47-27-11-5-23(6-12-27)39-43-29-17-9-26(20-34(29)58-39)42-45-31-16-4-22(2)38(36(31)60-42)62(53,54)56-50/h3-20H,1-2H3
(3)InChIKey: IAPWLZNOTXULLS-SRBNOPMNAY
(4)Std. InChI: InChI=1S/C42H26N6O6S6.2Na/c1-21-3-15-30-35(37(21)59(49,50)51)57-41(44-30)25-10-18-33-32(19-25)46-40(55-33)24-7-13-28(14-8-24)48-47-27-11-5-23(6-12-27)39-43-29-17-9-26(20-34(29)56-39)42-45-31-16-4-22(2)38(36(31)58-42)60(52,53)54;;/h3-20H,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2
(5)Std. InChIKey: IAPWLZNOTXULLS-UHFFFAOYSA-L