AG00IC7M

72-57-1 | 2,7-Naphthalenedisulfonic acid,3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt

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CAS Number	72-57-1
Catalog Number	AG00IC7M(AGN-PC-0U0W2W)
Chemical Name	2,7-Naphthalenedisulfonic acid,3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt
EC Number	200-786-7
IUPAC Name	tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
InChI	InChI=1S/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChI Key	GLNADSQYFUSGOU-UHFFFAOYSA-J
MDL Number	MFCD00003969
Molecular Formula	C34H24N6Na4O14S4
Molecular Weight	960.8052
SMILES	CC1=CC(C2=CC=C(/N=N/C3=C(S(=O)([O-])=O)C=C4C=C(S(=O)([O-])=O)C=C(N)C4=C3O)C(C)=C2)=CC=C1/N=N/C5=C(S(=O)([O-])=O)C=C6C=C(S(=O)([O-])=O)C=C(N)C6=C5O.[Na+].[Na+].[Na+].[Na+]
UN Number	3077
UNII	I2ZWO3LS3M
Synonyms	Blue, Diamine, Blue, Niagara, Blue, Trypan, Diamine Blue, Niagara Blue, Trypan Blue, VisionBlue, Direct Blue 14, TRYPAN BLUE, 72-57-1, VisionBlue, C.I. Direct Blue 14, Niagara Blue, Niagara Blue 3B, Diaminine Blue, Dianil blue, Diphenyl Blue, Vision Blue, Azidinblau 3B, Benzo Blue 3BS, Diamineblue, Dianilblau, Pyrotropblau, Parkibleu, Parkipan, Trypanblau [German], Benzamine Blue, Bleu diamine, Chloramine Blue, Trypane Blue, Tripan Blue, Trypan (Congo) Blue, Benzaminblau 3B, Benzo Blue, Chloramiblau 3B, Congo Blue, Bleu trypane N, Benzanil Blue R, Diaminblau 3B, Directblau 3B, Triazolblau 3BX, Benzoblau 3B, Congoblau 3B, Dianilblau H3G, Renolblau 3B, Bleu directe 3B, Naphthylamine Blue, Azidine Blue 3B, C.I. 23850, Diamine Blue 3B, Diazine Blue 3B, Pyrazol Blue 3B, Trypan Blue BPC, Bleue diretto 3B, Modr Trypanova [Czech], Bencidal Blue 3B, Dianil Blue H3G, Diazol Blue 3B, Diphenyl Blue 3B, Direct Blue 3B, Direct Blue 3BX, Direct Blue D3B, Direct Blue H3G, Direct Blue M3B, Paramine Blue 3B, Azurro diretto 3B, Benzo Blue 3B, Blue EMB, Naphthaminblau 3BX, Orion Blue 3B, Benzamine Blue 3B, Chlorazol Blue 3B, Cresotine Blue 3B, UNII-I2ZWO3LS3M, Amanil Sky Blue R, Benzanil Blue 3BN, Centraline Blue 3B, Chloramine Blue 3B, Hispamin Blue 3BX, I2ZWO3LS3M, Diaphtamine Blue TH, Bleu diazole N 3B, Blue 3B, Modr Prima 14 [Czech], Pontamine Blue 3BX, RCRA waste no. U236, RCRA waste number U236, Brasilamina Blue 3B, Brasilazina Blue 3B, Directakol Blue 3BL, Naphthamine Blue 3BX, C.I. Direct Blue 14, tetrasodium salt, CCRIS 616, Chrome Leather Blue 3B, Trianol Direct Blue 3B, Trypan blue (commercial grade), CHEBI:78897, HSDB 2945, NCI C61289, Trypanblau, EINECS 200-786-7, MFCD00003969, NSC 11247, Sodium ditolyl-diazobis-8-amino-1-naphthol-3,6-disulfonate, Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulfonate, Sodium ditolyldisazobis-8-amino-1-naphthol-3,6-disulphonate, AI3-26698, 1,2-bis[5-Amidino-2-ben-zofuranyl]ethylene, C34H24N6O14S4.4Na, 2,7-Naphthalenedisulfonic acid, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxy-, tetrasodium salt, Tetrasodium 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxynaphthalene-2,7-disulphonate), NCGC00167554-01, Membraneblue, trypan-blue, Modr Trypanova, Modr Prima 14, DIANIL BLUE 4B, DSSTox_CID_6268, CHEMBL1640, DSSTox_RID_78083, DSSTox_GSID_26268, CHEMBL177987, Trypan Blue, dye content 60%, C34H24N6Na4O14S4, HY-D0970, KS-00000YE3, Tox21_112549, 2084AH, 6952AF, O+/-(1/2)OA paragraph sign 14, AKOS015902434, AKOS030228627, CS-6991, DB09158, LS-1618, CAS-72-57-1, FT-0690008, C19307, C.I. Direct Blue 14, tetrasodium salt (8CI), I14-19583, 2,7-Naphthalenedisulfonic acid, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(5-amino-4-hydroxy-, sodium salt (1:4), 2,7-Naphthalenedisulfonic acid, 3,3'-((3,3'-dimethyl-4,4'-biphenylylene)bis(azo))bis(5-amino-4-hydroxy-, tetrasodium salt, 2,7-Naphthalenedisulfonic acid,3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt, sodium 3,3'-(1E,1'E)-(3,3'-dimethylbiphenyl-4,4'-diyl)bis(diazene-2,1-diyl)bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate), tetrapotassium 5-amino-3-[2-(4-{4-[2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate, Tetrasodium 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxynaphthalene-2,7-disulphonate, tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate), tetrasodium 5-amino-3-[(E)-2-(4-{4-[(E)-2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate, tetrasodium 5-amino-3-[2-(4-{4-[2-(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazen-1-yl]-3-methylphenyl}-2-methylphenyl)diazen-1-yl]-4-hydroxynaphthalene-2,7-disulfonate, Diamine Blue, True blue, Blue, Diamine, Blue, Niagara, Blue, Trypan, DirectBlue14, Trypan Blue 25g, Trypan Blue (C.I. 23850), ACN-S001990, T0556, D014343, Trypan Blue C. I. No. 23850 for microscopy 25gm, 108321-12-6, 2,7-Naphthalenedisulfonic acid, 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxy-), tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[5-amino-4-hydroxy-, sodium salt (1:4),

Complexity	1790
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	959.982g/mol
Formal Charge	0
Heavy Atom Count	62
Hydrogen Bond Acceptor Count	20
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	960.793g/mol
Monoisotopic Mass	959.982g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	404A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H350
Packing Group	Ⅲ
Precautionary statements	P201-P308+P313
UN Code	UN 2811

Certificate of Analysis

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