AG003261

3112-85-4 | Benzene, (methylsulfonyl)-

AG003261

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CAS Number	3112-85-4
Catalog Number	AG003261(AGN-PC-00EET8)
Chemical Name	Benzene, (methylsulfonyl)-
EC Number	221-476-8
IUPAC Name	methylsulfonylbenzene
InChI	InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key	JCDWETOKTFWTHA-UHFFFAOYSA-N
MDL Number	MFCD00014741
Molecular Formula	C7H8O2S
Molecular Weight	156.2022
NSC Number	41587
SMILES	O=S(C1=CC=CC=C1)(C)=O
UNII	150B65AI4O
Synonyms	METHYL PHENYL SULFONE, 3112-85-4, (Methylsulfonyl)benzene, Benzene, (methylsulfonyl)-, methylsulfonylbenzene, Phenyl methyl sulfone, Sulfone, methyl phenyl, (Phenylsulfonyl)methane, (Methylsulphonyl)benzene, methylphenylsulfone, Methyl phenyl sulphone, methylphenyl sulfone, NSC 41587, methanesulfonylbenzene, UNII-150B65AI4O, Methanesulfonyl-benzene, EINECS 221-476-8, MFCD00014741, BRN 1906914, JCDWETOKTFWTHA-UHFFFAOYSA-N, 150B65AI4O, Methyl phenyl sulfone, 99%, phenylmethylsulfone, thioanisole sulfone, methylphenylsulphone, Benzene, (methylsulfonyl)- (9CI), Methyl phenylsulfone, methylphenyl sulphone, Phenyl(methyl)sulfon, methanesulphonylbenzene, Phenyl methyl sulphone, PubChem10862, AC1L2BWF, sulfone, phenyl, methyl-, 1-(Methylsulfonyl)Benzene, Bionet2_000393, AC1Q4GK2, ACMC-1CS79, SCHEMBL78253, 4-06-00-01468 (Beilstein Handbook Reference), KSC492A2B, CHEMBL116841, 1-(Methylsulfonyl)benzene-4-D, Jsp005831, DTXSID1075228, CTK3J2020, HMS1365B19, ZINC165307, KS-00000WU1, NSC41587, STR03539, ANW-27039, NSC-41587, SBB037857, STL220308, AKOS000279256, MCULE-8530166761, RP22037, RTR-013265, AC-16482, AJ-16375, CJ-02274, M672, Methyl phenyl sulfone, >=98.0% (GC), SC-43973, ST079292, SY246294, ZB008453, AB0015336, DB-047971, LS-148003, TR-013265, FT-0628789, M0401, ST24035107, MFCD31699939 (95%), K-7388, 2R-0703, I09-1443, J-620023, W-106915, InChI=1/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H, 2122800-11-5, SML, C7H8O2S, Benceno, (metilsulfonil)-, alpha-(Methylsulphonyl)toluene, C7-H8-O2-S, CID18369, Methyl phenyl sulfone, 99% - 25G 25g,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.199g/mol
Monoisotopic Mass	156.025g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312a-P330-P501a
UN Code

Certificate of Analysis

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