AG003G81

22381-54-0 | Ethanol, 2-​[(4-​methylphenyl)​sulfonyl]​-

AG003G81

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CAS Number	22381-54-0
Catalog Number	AG003G81(AGN-PC-0JLY5N)
Chemical Name	Ethanol, 2-​[(4-​methylphenyl)​sulfonyl]​-
IUPAC Name	2-(4-methylphenyl)sulfonylethanol
InChI	InChI=1S/C9H12O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5,10H,6-7H2,1H3
InChI Key	QJFIXBNLKARINT-UHFFFAOYSA-N
MDL Number	MFCD00041757
Molecular Formula	C9H12O3S
Molecular Weight	200.2548
NSC Number	70003
SMILES	S(=O)(=O)(CCO)c1ccc(cc1)C
Synonyms	2-Tosylethanol, 22381-54-0, 2-(p-Toluenesulfonyl)ethanol, 2-(p-Tolylsulfonyl)ethanol, 2-[(4-Methylphenyl)sulfonyl]ethanol, Ethanol, 2-(p-tolylsulfonyl)-, Ethanol, 2-[(4-methylphenyl)sulfonyl]-, 2-(4-Methylphenylsulfonyl)ethanol, 2-(4-methylphenyl)sulfonylethanol, QJFIXBNLKARINT-UHFFFAOYSA-N, 2-Hydroxyethyl 4-methylphenyl sulfone, Ethanol, 2-((4-methylphenyl)sulfonyl)-, 272440-04-7, NSC70003, NSC 70003, MPSE, ACMC-1CKIU, AI3-07259, AC1L3IDO, AC1Q6TYR, 2-p-Toluenesulfonylethanol, AC1Q2LG7, AC1Q2LG8, 2-(p-tolylsulfonyl) ethanol, 2-(p-toluenesulphonyl)ethanol, SCHEMBL505791, 2-(p-toluenesulfonyl) ethanol, 2-(p-toluenesulfonyl)-ethanol, 2-(Toluene-4-sulfonyl)ethanol, DTXSID1066786, 2-(Toluene-4-sulfonyl)-ethanol, CTK3J7469, ZINC396143, 2-(p-Tolylsulfonyl)ethanol, 97%, KS-000012ML, ANW-24858, MFCD00041757, NSC-70003, p-Methylphenyl 2-hydroxyethyl sulfone, 2-[(4-methylphenyl)sulfonyl]-ethanol, AKOS003365870, 2-(4-methylbenzenesulfonyl)ethan-1-ol, FS-1158, MCULE-2468236689, VZ23316, 2-[(4-Methylphenyl)sulfonyl]ethanol #, Ethanol, 2-(p-tolylsulfonyl)- (8CI), 1-[(4-methylphenyl)sulfonyl]ethan-2-ol, 2-[(4-methylbenzene)sulfonyl]ethan-1-ol, AJ-21611, AK-45592, SC-70193, ZB012646, DB-045892, RT-003870, CS-0042623, FT-0608918, ST50405755, 381T540, A1-04275, J-014682, S01-0209, 2-[ sulfonyl]ethanol, C9-H12-O3-S, CID89682, AR-1I7643, T1620, 2-(P-Tolylsulfonyl)ethanol, 98% - 1G 1g, 22914-58-5,

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	1
Isotope Atom Count	0
Molecular Weight	200.252g/mol
Monoisotopic Mass	200.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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