Methyl 4-methylphenylsulfoxide

HCID 136743
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Basic information

CAS
934-72-5
Standard SMILES
Cc1ccc(S(C)=O)cc1
InChIKey
FEVALTJSQBFLEU-UHFFFAOYSA-N
Molecular formula
C8H10OS
Average molar mass
154.23 g/mol
Monoisotopic mass
154.04523594

Names & identifiers

Preferred name
Methyl 4-methylphenylsulfoxide
IUPAC
1-methyl-4-methylsulfinylbenzene
English name
1-Methyl-4-(methylsulfinyl)benzene
Molecular formula
C8H10OS
Molecular weight
154.23

Names & synonyms

Methyl 4-methylphenylsulfoxide1-Methanesulfinyl-4-methylbenzeneMethyl p-methylphenylsulfoxideNSC 141186RefChem:157634FEVALTJSQBFLEU-UHFFFAOYSA-N934-72-51-Methyl-4-(methylsulfinyl)benzeneMethyl p-tolyl sulfoxide1-methyl-4-methylsulfinylbenzene1-Methyl-4-(methylsulphinyl)benzeneMethyl 4-methylphenyl sulphoxide
Show more names
4-(Methylsulfinyl)tolueneMethyl p-tolyl sulfoxide 97%4-Methylphenyl (methyl) sulfoxide1-(Methylsulfinyl)-4-methylbenzene
METHYL 4-TOLYL SULFOXIDEMFCD00075175SCHEMBL280535Methyl p-tolyl sulfoxide, 97%DTXSID401347144NSC141186NSC-141186Benzene, 1-methyl-4-[(R)-methylsulfinyl]-

Database identifiers

CAS
934-72-5
PubChem CID
136743
DTXSID
DTXSID401347144
EC Number
890-047-0
Nikkaji
J283.994F

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
36.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
44 · 44-46 °C (lit.)
Boiling point
113 · 113-114 °C/2 mmHg (lit.)
Density
1.1125 · 1.1125 (rough estimate)
refractive index
1.578 · 1.5780 (estimate)
Flash point
230 °F · >230 °F
storage temp.
2 · Storage temp. 2-8°C

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29309099
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids

Chemistry & industry

Applications

UsesMethyl p-tolyl sulfoxide may be used as a catalyst in the preparation of homoallylic alcohols by the allylation of aldehydes with allyltrichlorosilane. It may be used as a ligand in the synthesis of molybdenum chlorocomplexes.

General DescriptionMethyl p-tolyl sulfoxide (MTSO), an alkyl-substituted p-tolyl sulfoxide, is a Lewis base. It behaves as an activator of silicon tetrachloride that is employed in aza-Diels-Alder reaction.

Suppliers53 total

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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