AG00FHGU

66472-86-4 | (3-Aminophenyl)boronic acid sulfate (2:1)

AG00FHGU

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CAS Number	66472-86-4
Catalog Number	AG00FHGU(AGN-PC-00UMFQ)
Chemical Name	(3-Aminophenyl)boronic acid sulfate (2:1)
IUPAC Name	(3-aminophenyl)boronic acid;sulfuric acid
InChI	InChI=1S/2C6H8BNO2.H2O4S/c2*8-6-3-1-2-5(4-6)7(9)10;1-5(2,3)4/h2*1-4,9-10H,8H2;(H2,1,2,3,4)
InChI Key	UKTAURVTSWDIQR-UHFFFAOYSA-N
MDL Number	MFCD00013111
Molecular Formula	C12H18B2N2O8S
Molecular Weight	371.9669
SMILES	OB(C1=CC=CC(N)=C1)O.O=S(O)(O)=O.OB(C2=CC=CC(N)=C2)O
Synonyms	66472-86-4, (3-Aminophenyl)boronic acid sulfate (2:1), 3-Aminobenzeneboronic Acid Hemisulfate, 3-Aminophenylboronic Acid Hemisulfate, 3-Aminobenzeneboronic acid hemisulfate salt, 3-Aminophenylboronic acid hemisulphate, MFCD00013111, M-AMINOPHENYL BORONIC ACID, HEMISULPHATE, Boronic acid, (3-aminophenyl)-, sulfate (2:1), 4-Aminophenylboronic Acid Hemisulfate, AK-43360, (3-aminophenyl)boronic acid; sulfuric acid, bis((3-aminophenyl)boronic acid); sulfuric acid, 3-Aminophenylboronic acid hemisulfate, 98%, PubChem23780, JSPY-st000026, C6H8BNO2.0.5H2O4S, UKTAURVTSWDIQR-UHFFFAOYSA-N, 3-aminophenylboronic acid hemisulfat, ACT07892, KS-00000FS5, ZX-AT011254, OR9477, SBB071326, 3-Amino-phenylboronic acid hemisulfate, AKOS015906756, 3-Aminophenylboric acid sulphate(2:1), AB01122, AC-5364, CS-W000959, DS-1552, RL04539, VB10608, (3-Aminophenyl)boronic acid sulfate (2, 3-amino phenyl boronic acid hemisulfate, AN-11062, BR-43360, N259, 3-Amino Phenyl Boronic Acid Hemi Sulphate, AB0015662, AB1004657, AX8011747, 4CH-001168, AM20050339, FT-0084868, FT-0615021, ST24026212, bis(M-aminophenylboronic acid); sulfuric acid, S-2547, A835471, 3-Aminophenylboronic acid hemisulfate salt, >=95%, J-511680, sulfuric acid compound with 3-aminophenylboronic acid (1:2), 3-Aminobenzeneboronic acid, M-AMINOPHENYLBORONIC ACID, C6H8BNO2.1/2H2O4S, 3-Aminophenylboric acid hemisulphate, EINECS 266-376-5, 3-Aminophenylboronic acid, hemisulfate, ACN-032605, A1774, C6-H8-B-N-O2.1/2H2-O4-S,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	372.097g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	371.962g/mol
Monoisotopic Mass	372.097g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	216A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338-P261-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number