AG003592

80-48-8 | Methyl 4-methylbenzenesulfonate

AG003592

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CAS Number	80-48-8
Catalog Number	AG003592(AGN-PC-0C6A6V)
Chemical Name	Methyl 4-methylbenzenesulfonate
EC Number	201-283-5
IUPAC Name	methyl 4-methylbenzenesulfonate
InChI	InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
InChI Key	VUQUOGPMUUJORT-UHFFFAOYSA-N
MDL Number	MFCD00008417
Molecular Formula	C8H10O3S
Molecular Weight	186.2282
NSC Number	406335
SMILES	CC1=CC=C(S(=O)(OC)=O)C=C1
UNII	4SU69KI68L
Synonyms	methyl 4-toluene sulfonate, methyl p-toluene sulfonate, Methyl p-toluenesulfonate, 80-48-8, Methyl 4-methylbenzenesulfonate, Methyl tosylate, Methyl p-tosylate, Methyl toluene-4-sulfonate, Methyl-p-toluenesulfonate, Methyl toluene-4-sulphonate, Benzenesulfonic acid, 4-methyl-, methyl ester, p-Toluenesulfonic acid, methyl ester, p-Toluenesulfonic acid methyl ester, p-Methylbenzenesulfonate methyl ester, Methyl toluene sulfonate, p-Toluolsulfonsaeure methyl ester, methyl 4-methylbenzene-1-sulfonate, Methyl 4-toluene sulfonate, Methyl para-toluenesulfonate, o-Toluenesulfonic acid, methyl ester, UNII-4SU69KI68L, Methylester kyseliny p-toluensulfonove, METHYL P-METHYLBENZENESULFONATE, NSC 406335, CCRIS 9151, ortho-Toluenesulfonic acid, methyl ester, HSDB 2025, Methyl 4-toluenesulfonate, EINECS 201-283-5, 4-Toluenesulfonic acid, methyl ester, MFCD00008417, BRN 0609209, p-Toluolsulfonsaeure methyl ester [German], AI3-02550, 4SU69KI68L, Methyl 4-methylbenzenesulphonate, Methylester kyseliny p-toluensulfonove [Czech], VUQUOGPMUUJORT-UHFFFAOYSA-N, 4-methyl-benzenesulfonic acid methyl ester, 2,4,5,6[1H,3H]Pyrimidinetetrone 5-oxime, Methyl p-toluenesulfonate, 97%, methyltosylate, tosome, methyl tosylat, MeOTs, TsOMe, tosylate methyl ester, methyl-p-toluensulfonate, ACMC-209pjj, AC1L1MZM, methyl-p-toluenesulphonate, Methyl p-toluenesulphonate, methyl paratoluenesulfonate, methyl p-toluene-sulfonate, methyl rho-toluenesulfonate, methyl-4-toluene sulfonate, Methyl p-toluene sulphonate, AC1Q4GF4, methyl-4-toluene sulphonate, methyl-paratoluene sulphonate, WLN: 1OSWR D1, DSSTox_CID_31123, Methyl para-toluenesulphonate, Methyl-(4)-toluenesulfonate, DSSTox_GSID_52550, methyl para-toluene sulfonate, p-toluenesulfonic acid methyl, SCHEMBL27524, 4-11-00-00247 (Beilstein Handbook Reference), KSC492S0J, methyl-4-methylbenzenesulfonate, DTXSID4052550, Methyl p-toluenesulfonate, 98%, CTK3J2904, paratoluen sulphonate methyl ester, KS-00000GN3, STR01542, ZINC1599128, p-toluene sulfonic acid methyl ester, Tox21_303790, ANGC-80-48-8, ANW-37373, NSC406335, p-toluene-sulphonic acid methyl ester, SBB058206, toluene-4-sulfonic acid methyl ester, toluene-4-sulfonic acid-methyl ester, AKOS008938769, Methyl ester of p-toluenesulfonic acid, MCULE-9431039746, NSC-406335, RP24635, RTR-025454, TRA0050681, CAS-80-48-8, 4-methylbenzenesulfonic acid methyl ester, NCGC00357078-01, AJ-27927, AK-48103, AM804364, AN-24024, CJ-25689, M674, M863, SC-23396, Methyl ester of para-Toluenesulphonic acid, AB1002279, DB-020470, LS-154172, ST2413423, TR-025454, CS-0015899, FT-0619531, Methyl ester of 4-methylbenzenesulfonic acid, ST51015473, EN300-15726, M-7414, 28736-EP2314579A1, A839928, Methyl p-toluenesulfonate, purum, >=97.0% (GC), I01-0397, Q-200515, F0001-2085, Methyl p-tosylate; 4-Methylbenzenesulfonic acid; methyl ester, Methyl toluenesulfonate, Violuric acid, Methyl toluenesulphonate, Methylp-toluenesulfonate, methyltoluen-4-sulfonat, methyl-p-toluene sulfonate, C8H10O3S, 4-Toluolsulfonsauremethylester, CID6645, p-Toluenesulfonic acid monohydrate, Benzenesulfonic acid, methyl ester, p-Methylbenzolsulfonsauremethylester, C8-H10-O3-S, Methyl p-toluenesulfonate, 98% 250g, Toluenesulfonic acid, methyl ester, P-, T0269, Methyl p-toluenesulfonate, 98% - 100G 100g, 28804-47-9, 26351-19-9,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.035g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.225g/mol
Monoisotopic Mass	186.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

Lot Number