AG003H3O

5138-91-0 | Sodium 3-chloro-4-methylbenzenesulfonate

AG003H3O

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CAS Number	5138-91-0
Catalog Number	AG003H3O(AGN-PC-0SADH3)
Chemical Name	Sodium 3-chloro-4-methylbenzenesulfonate
EC Number	225-901-8
IUPAC Name	sodium;3-chloro-4-methylbenzenesulfonate
InChI	InChI=1S/C7H7ClO3S.Na/c1-5-2-3-6(4-7(5)8)12(9,10)11;/h2-4H,1H3,(H,9,10,11);/q;+1/p-1
InChI Key	FQFDFCOTXFCZMB-UHFFFAOYSA-M
MDL Number	MFCD00053619
Molecular Formula	C7H6ClNaO3S
Molecular Weight	228.6285
SMILES	CC1=CC=C(S(=O)([O-])=O)C=C1Cl.[Na+]
Synonyms	5138-91-0, Sodium 3-Chloro-4-methylbenzenesulfonate, Sodium 2-Chlorotoluene-4-sulfonate, 2-Chlorotoluene-4-sulfonic Acid Sodium Salt, 3-chloro-p-toluenesulfonic acid sodium salt, Sodium 2-chlorotoluene-4-sulphonate, EINECS 225-901-8, ACMC-209ktk, C7H6ClSO3.Na, AC1Q1VQZ, SCHEMBL8887426, Sodium2-Chlorotoluene-4-sulfonate, 7842AF, ANW-31254, AKOS027327426, ACM5138910, KS-000014Q8, TC-119999, sodium 3-chloro-4-methylbenzene-1-sulfonate, C7H7ClO3S.Na, C7-H7-Cl-O3-S.Na, CID78818, AR-1L4746, c0298, 2-CHLOROTOLUENE-4-SULFONICACIDSODIUMSALT, 526194-96-7,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.962g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.622g/mol
Monoisotopic Mass	227.962g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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