AG003QBE

80-40-0 | Ethyl 4-methylbenzenesulfonate

AG003QBE

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CAS Number	80-40-0
Catalog Number	AG003QBE(AGN-PC-0CG7J0)
Chemical Name	Ethyl 4-methylbenzenesulfonate
EC Number	201-276-7
IUPAC Name	ethyl 4-methylbenzenesulfonate
InChI	InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChI Key	VRZVPALEJCLXPR-UHFFFAOYSA-N
MDL Number	MFCD20691064
Molecular Formula	C9H12O3S
Molecular Weight	200.2548
NSC Number	8887
SMILES	O=S(=O)(OCC)c1ccc(cc1)C
UNII	2160N0YURF
Synonyms	Ethyl p-toluenesulfonate, 80-40-0, Ethyl 4-methylbenzenesulfonate, Ethyl tosylate, Ethyl p-tosylate, Ethyl p-TS, Benzenesulfonic acid, 4-methyl-, ethyl ester, ETHYL P-METHYLBENZENESULFONATE, p-Toluenesulfonic acid, ethyl ester, Ethyl-p-toluenesulfonate, Ethyl PTS, p-Toluolsulfonsaeure aethyl ester, ethyl p-toluene sulfonate, Ethyl toluene-4-sulphonate, NSC 8887, UNII-2160N0YURF, Ethyl p-methyl benzenesulfonate, CCRIS 1028, HSDB 5235, ethyl 4-methylbenzene-1-sulfonate, Ethyl 4-toluenesulfonate, toluene-4-sulfonic acid ethyl ester, EINECS 201-276-7, Ethylester kyseliny p-toluensulfonove, Ethyl toluene-4-sulfonate, BRN 0611213, p-Toluolsulfonsaeure aethyl ester [German], AI3-08004, 2160N0YURF, Ethyl p-toluenesulfonate, 98%, Ethylester kyseliny p-toluensulfonove [Czech], VRZVPALEJCLXPR-UHFFFAOYSA-N, p-Toluenesulfonic Acid Ethyl Ester, MFCD00009100, Mittel AEP, 4-Methylbenzenesulfonic acid ethyl ester, ethyl p-toluensulfonate, PubChem17403, ACMC-209pje, ethyl-p-toluene-sulfonate, ethyl-p-toluene sulphonate, Ethyl para-toluenesulfonate, ethyl paratoluene sulphonate, AC1L1MZ1, AC1Q6Y5V, p-toluenesulfonic acid ethyl, ethyl4-methylbenzenesulfonate, WLN: 2OSWR D1, SCHEMBL76249, ethyl-P-methylbenzenesulfonate, 4-11-00-00248 (Beilstein Handbook Reference), KSC489Q6R, DTXSID2058833, CTK3I9868, Ethyl 4-methylbenzenesulfonate #, NSC8887, ethyl 4-methyl-1-benzenesulfonate, NSC-8887, ZINC1648308, ANW-37368, SBB060597, STL268850, Ethyl ester of p-Toluenesulfonic acid, AKOS000120217, MCULE-1801575459, NE10632, RTR-033453, TRA0083208, KS-00000G88, 4-methyl-benzenesulfonic acid ethyl ester, AK198644, AN-24021, CJ-05944, CJ-26666, SC-77152, DB-031914, LS-154168, TR-033453, FT-0626235, ST50825449, T0268, Y2044, I01-6341, Z57169563, F0001-2084, Ethyl p-toluenesulfonate, certified reference material, TraceCERT(R), InChI=1/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H, ethyl toluenesulfonate, ethyltoluen-4-sulfonat, Ethylparatoluenesulfonate, C9H12O3S, Benzenesulfonic acid, ethyl ester, CID6638, C9-H12-O3-S, AR-1I9276, 84771-76-6,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.051g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.252g/mol
Monoisotopic Mass	200.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335-H341
Precuationary statements	P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P201-P261-P305+P351+P338-P405-P501a
Siginal words

Certificate of Analysis

Lot Number