AG003MDG

118-88-7 | 5-amino-2-methylbenzene-1-sulfonic acid

AG003MDG

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CAS Number	118-88-7
Catalog Number	AG003MDG(AGN-PC-0JL7KV)
Chemical Name	5-amino-2-methylbenzene-1-sulfonic acid
EC Number	204-282-8
IUPAC Name	5-amino-2-methylbenzenesulfonic acid
InChI	InChI=1S/C7H9NO3S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
InChI Key	BRKFTWHPLMMNHF-UHFFFAOYSA-N
MDL Number	MFCD00007911
Molecular Formula	C7H9NO3S
Molecular Weight	187.2163
SMILES	O=S(C1=CC(N)=CC=C1C)(O)=O
UNII	G90628U043
Synonyms	4-toluidine-3-sulfo acid, 5-amino-2-methylbenzenesulfonic acid, 5-Amino-2-methylbenzenesulfonic acid, 118-88-7, 5-Amino-o-toluenesulfonic acid, 4-Methyl-3-sulfoaniline, 4-Amino-2-sulfotoluene, Benzenesulfonic acid, 5-amino-2-methyl-, p-Toluidine-o-sulfonic acid, 3-Amino-6-methylbenzenesulfonic acid, 4-Aminotoluene-2-sulphonic acid, UNII-G90628U043, 5-amino-2-methylbenzene-1-sulfonic acid, 4-methylaniline-3-sulfonic acid, BRKFTWHPLMMNHF-UHFFFAOYSA-N, MFCD00007911, 5-Amino-2-Methyl-Benzenesulfonic acid, 4-AMINOTOLUENE-2-SULFONIC ACID, G90628U043, o-Toluenesulfonic acid, 5-amino-, NSC5586, EINECS 204-282-8, NSC 22958, 2-Methyl-5-amino benzene sulfonic acid, ACMC-20am6e, AI3-23219, AC1Q6WFK, EC 204-282-8, AC1L26QW, DSSTox_CID_24523, DSSTox_RID_80290, p-methylaniline-3-sulfonicac, DSSTox_GSID_44523, SCHEMBL151537, CHEMBL3185619, DTXSID0044523, CTK0H6793, 5-amino-2-methyl-1-sulfobenzene, 5-amino-2-methyl-benzenesulfonicaci, NSC-5586, NSC22958, ZINC1687026, Tox21_302265, NSC-22958, AKOS006228759, MCULE-6493398690, NE10528, VZ35612, NCGC00255931-01, 1-amino-4-methylbenzene-3-sulphonic acid, AJ-29879, AN-43284, AS-12903, CAS-118-88-7, o-Toluenesulfonic acid, 5-amino- (8CI), DB-015495, RT-002138, TL8000507, 5-AMINO-1-METHYLBENZENESULFONIC ACID, FT-0608018, ST24029317, ST50825270, 118A887, I01-6867, W-108532, C7H9NO3S, P-TOLUIDINE-M-SULFONIC ACID, C7-H9-N-O3-S, CID67054, AR-1L2550, ACN-034352, 94293-57-9,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.03g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.213g/mol
Monoisotopic Mass	187.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
UN Code	UN 3261

Certificate of Analysis

Lot Number