AG003U14

455-16-3 | p-Toluenesulfonyl fluoride

AG003U14

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CAS Number	455-16-3
Catalog Number	AG003U14(AGN-PC-0JK9CS)
Chemical Name	p-Toluenesulfonyl fluoride
EC Number	207-238-6
IUPAC Name	4-methylbenzenesulfonyl fluoride
InChI	InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChI Key	IZZYABADQVQHLC-UHFFFAOYSA-N
MDL Number	MFCD00007421
Molecular Formula	C7H7FO2S
Molecular Weight	174.1927
NSC Number	2749
SMILES	S(=O)(=O)(F)c1ccc(cc1)C
Synonyms	4-PMSF, 4-toluenesulfonyl fluoride, alpha-tolylsulfonyl fluoride, p-toluenesulfonyl fluoride, para-toluenesulfonyl fluoride, phenylmethane sulfonyl fluoride, tosyl fluoride, TSF, p-TOLUENESULFONYL FLUORIDE, 455-16-3, Tosyl fluoride, 4-Methylbenzenesulfonyl fluoride, 4-Toluenesulfonyl fluoride, Benzenesulfonyl fluoride, 4-methyl-, 4-Tolylsulfonyl fluoride, Toluene-4-sulfonyl fluoride, p-Methylbenzenesulfonyl fluoride, p-Toluenesulphonyl fluoride, Toluene-p-sulphonyl fluoride, p-Methylphenylsulfonyl fluoride, NSC 2749, 4-methylbenzene-1-sulfonyl fluoride, p-toluenesulfonylfluoride, EINECS 207-238-6, BRN 2208423, IZZYABADQVQHLC-UHFFFAOYSA-N, fluoro(4-methylphenyl)sulfone, 4-PMSF, alpha-tolylsulfonyl fluoride, para-toluenesulfonyl fluoride, phenylmethane sulfonyl fluoride, P-fluorosulfonyltoluene, ACMC-209k2x, WLN: WSFR D1, AC1Q6YN1, SCHEMBL81712, 4-11-00-00375 (Beilstein Handbook Reference), AC1L1U78, DTXSID0060014, 4-Methylbenzenesulphonyl fluoride, CTK1D5939, IZZYABADQVQHLC-UHFFFAOYSA-, NSC2749, p-Toluenesulfonyl fluoride, 98%, Benzenesulfonylfluoride, 4-methyl-, NSC-2749, ANW-30295, MFCD00007421, SBB088899, ZINC85532952, AKOS015840472, MCULE-3055425047, VS-0060, (4-METHYLPHENYL)SULFONYL FLUORIDE, LS-154196, TR-032929, FT-0619533, ST51037904, V6030, K-9033, J-640211, J-800213, I14-27199, Z1741957148, InChI=1/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3, C7H7FO2S, Phenylmethylsulfonyl fluoride, 4-Toluensulfonyl fluoride, CID9965, C7-H7-F-O2-S, AR-1G3581, 3-(METHOXYCARBONYL)PHENYL ISOCYANATE, C003614, TSF, 4891-18-3,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.015g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.189g/mol
Monoisotopic Mass	174.015g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302+H312+H332-H314
Packing Group	Ⅱ
Precautionary statements	P260-P264-P270-P271-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501
UN Code	UN 3261

Certificate of Analysis

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