AG003U0Z

778-28-9 | Butyl 4-methylbenzenesulfonate

AG003U0Z

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CAS Number	778-28-9
Catalog Number	AG003U0Z(AGN-PC-0JKAYO)
Chemical Name	Butyl 4-methylbenzenesulfonate
EC Number	212-295-5
IUPAC Name	butyl 4-methylbenzenesulfonate
InChI	InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChI Key	QYJXDIUNDMRLAO-UHFFFAOYSA-N
MDL Number	MFCD00027203
Molecular Formula	C11H16O3S
Molecular Weight	228.3079
NSC Number	6190
SMILES	CC1=CC=C(S(=O)(OCCCC)=O)C=C1
UNII	00XW1Q3QO1
Synonyms	778-28-9, Butyl 4-methylbenzenesulfonate, Butyl p-toluenesulfonate, Butyl tosylate, n-Butyl p-toluenesulfonate, p-Toluenesulfonic acid n-butyl ester, Butyl p-methylbenzenesulfonate, Butyl-p-toluenesulfonate, p-TOLUENESULFONIC ACID, BUTYL ESTER, Benzenesulfonic acid, 4-methyl-, butyl ester, Butyl toluene-4-sulphonate, NSC 6190, p-Toluene sulfonic acid, butyl ester, UNII-00XW1Q3QO1, CCRIS 9148, p-Toluenesulfonic Acid Butyl Ester, EINECS 212-295-5, BRN 1428508, AI3-02551, 00XW1Q3QO1, butyl 4-methylbenzene-1-sulfonate, QYJXDIUNDMRLAO-UHFFFAOYSA-N, Butyl p-toluenesulfonate, 99%, butyltosylate, MFCD00027203, Butyl-p-toluolsulfonat, 4-methylbenzenesulfonic acid butyl ester, butyl-p-toluene sulphonate, Butyl para-toluenesulfonate, ACMC-209pc1, AC1L20YN, AC1Q2XL1, AC1Q2XL2, WLN: 4OSWR D1, butyl-4-methylbenzenesulfonate, SCHEMBL187914, DTXSID8061133, BUTYL 4-TOLUENESULPHONATE, CTK6E3694, KS-00000GZV, NSC6190, NSC-6190, toluene-4-sulfonic acid butyl ester, ZINC1693321, ANW-37103, KM1877, SBB060777, AKOS009028850, Butyl ester of 4-Toluenesulfonic acid, MCULE-5847572534, 4-methyl-benzenesulfonic acid butyl ester, AK487244, AS-17764, CJ-28293, SY053065, DB-056261, LS-154163, TC-125848, Benzenesulfonic acid,4-methyl-, butyl ester, FT-0632944, ST50547683, V1710, EN300-19213, MFCD00027203 (97%), A839206, S01-0336, Butyl-p-toluenesulphonate, C11H16O3S, Benzenesulfonic acid, butyl ester, CID13066, C11-H16-O3-S, P-TOLUENESULFONICACIDN-BUTYLESTER, T0727, 4-11-00-00250 (Beilstein Handbook Reference),

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.082g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.306g/mol
Monoisotopic Mass	228.082g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number