AG003KE4

5314-37-4 | [1,1'-BIPHENYL]-4,4'-DISULFONIC ACID

AG003KE4

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CAS Number	5314-37-4
Catalog Number	AG003KE4(AGN-PC-0JLRUI)
Chemical Name	[1,1'-BIPHENYL]-4,4'-DISULFONIC ACID
IUPAC Name	4-(4-sulfophenyl)benzenesulfonic acid
InChI	InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)
InChI Key	ABSXMLODUTXQDJ-UHFFFAOYSA-N
MDL Number	MFCD00035762
Molecular Formula	C12H10O6S2
Molecular Weight	314.3342
NSC Number	6781
SMILES	O=S(C1=CC=C(C2=CC=C(S(=O)(O)=O)C=C2)C=C1)(O)=O
Synonyms	4,4'-dihydroxybiphenyl-O-disulfonic acid, 4,4'-dihydroxybiphenyl-O-disulfonic acid, dipotassium salt, 4,4'-dihydroxybiphenyl-O-disulfonic acid, disodium salt, DOHBPSA, 4,4'-Biphenyldisulfonic acid, 5314-37-4, [1,1'-Biphenyl]-4,4'-disulfonic acid, biphenyl-4,4'-disulfonic acid, 4,4-biphenyldisulfonic acid, 4-(4-sulfophenyl)benzenesulfonic acid, (1,1'-Biphenyl)-4,4'-disulfonic acid, C12H10O6S2, NSC 6781, 4,4'-Dihydroxybiphenyl-O-disulfonic acid, AC1L2WVM, AC1Q6WNY, [1,4'-disulfonic acid, AC1Q7DM9, ACMC-1AN34, SCHEMBL447639, 4,4'-Biphenyldisulphonic acid, 4,4\'-Biphenyldisulfonic Acid, DTXSID6063771, CTK1H0443, NSC6781, ABSXMLODUTXQDJ-UHFFFAOYSA-N, 4,4'-BIPHENYLDISULFONICACID, ALBB-025778, NSC-6781, ZINC1866983, ZX-AN024291, ZX-AT016134, 5959AF, ANW-31640, MFCD00035762, SBB072681, AKOS015840393, FS-4587, MCULE-5523669522, [1,1'-Biphenyl]-4,4'-disulfonicacid, KS-00000X45, 4-(4-sulfophenyl)benzene-1-sulfonic acid, DB-052262, TR-018797, CS-0035490, FT-0616991, R1639, ST45028923, 314B374, C-51895, KST-1A5598, CID79202, AR-1A8634, C12-H10-O6-S2, B1664, 5405-87-8,

Complexity	461
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.992g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	314.326g/mol
Monoisotopic Mass	313.992g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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