AG004E5J

88-53-9 | 5-Amino-2-chloro-4-methylbenzenesulfonic acid

AG004E5J

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CAS Number	88-53-9
Catalog Number	AG004E5J(AGN-PC-0JK7TT)
Chemical Name	5-Amino-2-chloro-4-methylbenzenesulfonic acid
EC Number	201-839-7
IUPAC Name	2-amino-5-chloro-4-methylbenzenesulfonic acid
InChI	InChI=1S/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)
InChI Key	VYZCFAPUHSSYCC-UHFFFAOYSA-N
MDL Number	MFCD00043924
Molecular Formula	C7H8ClNO3S
Molecular Weight	221.6613
SMILES	O=S(C1=CC(Cl)=C(C)C=C1N)(O)=O
UNII	HNF96511X2
Synonyms	2-amino-5-chloro-4-methylbenzenesulfonic acid, Lake Red C Amine, LRCA, 88-53-9, 2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID, Lake Red C Amine, Red Lake C amine, 5-Amino-2-chlorotoluene-4-sulfonic Acid, Benzenesulfonic acid, 2-amino-5-chloro-4-methyl-, UNII-HNF96511X2, CCRIS 2283, 3-Amino-6-chlorotoluene-4-sulfonic acid, 5-Amino-2-chlorotoluene-4-sulphonic acid, HSDB 5259, EINECS 201-839-7, 2-amino-5-chloro-4-methyl-benzenesulfonic acid, AI3-28529, p-Toluenesulfonic acid, 2-amino-5-chloro-, HNF96511X2, C-Saure, AC1L1NMP, AC1Q3LOR, 6274-33-5, DSSTox_CID_6528, ACMC-209qu9, EC 201-839-7, DSSTox_RID_78139, DSSTox_GSID_26528, SCHEMBL315975, AC1Q2F41, CHEMBL3182943, DTXSID7026528, CTK2F8472, VYZCFAPUHSSYCC-UHFFFAOYSA-N, ZINC1669674, Tox21_200678, ANW-39055, MFCD00043924, 4-Chloro-m-toluidine-6-sulfonic Acid, AKOS015890368, FCH1321956, MCULE-8788377827, CAS-88-53-9, NCGC00248793-01, NCGC00258232-01, AN-24148, CC-08945, I367, LS-31744, 2-chloro-5-amino-4-toluene sulfonic acid, 4-Chloro-5-methylaniline-2-sulfonic Acid, TC-127800, A0287, FT-0652488, ST24023819, 2-Amino-4-methyl-5-chlorobenzenesulfonic acid, 2-amino-5-chloro-4-methylbenzene-1-sulfonic acid, C-35066, I01-6878, CLT Acid, C7H8ClNO3S, C7-H8-Cl-N-O3-S, CID6936, 5-amino-2-chlortoluen-4-sulfonsyre, AR-1G7088, MK 1903, 2-Amino-5-chloro-4-methylbenzenesulfonicacid, * 5-Amino-2-chlorotoluene-4-sulfonic Acid, 5-Amino-2-chloro-4-methylbenzenesulfonic acid, 1268882-43-4, 83543-94-6, 94367-21-2,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.991g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.655g/mol
Monoisotopic Mass	220.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

Lot Number