ChemicalBook--->CAS DataBase List--->3185-99-7

3185-99-7

3185-99-7 Structure

3185-99-7 Structure
IdentificationMore
[Name]

1-Methyl-4-(methylsulfonyl)-benzene
[CAS]

3185-99-7
[Synonyms]

1-METHANESULFONYL-4-METHYL-BENZENE
1-methyl-4-(methylsulfonyl)-benzene
4-METHANESULFONYLTOLUENE
4-(METHYLSULFONYL)TOLUENE
4-METHYLSULPHONYLTOLUENE
METHYL P-TOLYL SULFONE
METHYL P-TOLYL SULPHONE
P-METHYL SULFONYL TOLUENE
p-(methylsulphonyl)toluene
1-Methansulfonyl-4-methylbenzen
1-Methansulfonyl-4-methylbenzene
1-Methyl-4-(methyl-sulphonyl)benzene
Benzene,1-methyl-4-(methylsulfonyl)-
Methyl 4-tolyl sulfone
p-Tolyl methyl sulfone
Sulfone, methyl p-tolyl
p-methyl sulfone toluene
4-Tolylmethylsulfone
4-Toluene Methyl Sulfone
Methylp-tolylsulfone,97%
[EINECS(EC#)]

221-682-8
[Molecular Formula]

C8H10O2S
[MDL Number]

MFCD00014742
[Molecular Weight]

170.23
[MOL File]

3185-99-7.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO LIGHT BEIGE CRYSTALLINE POWDER
[Melting point ]

85-89 °C(lit.)
[Boiling point ]

140 °C / 3mmHg
[density ]

1.2238 (rough estimate)
[refractive index ]

1.5320 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[color ]

White to Almost white
[BRN ]

607296
[InChI]

InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
[InChIKey]

YYDNBUBMBZRNQQ-UHFFFAOYSA-N
[SMILES]

C1(C)=CC=C(S(C)(=O)=O)C=C1
[CAS DataBase Reference]

3185-99-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-methyl-4-(methylsulfonyl)-(3185-99-7)
[EPA Substance Registry System]

3185-99-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318-H335
[Precautionary statements ]

P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xn,F
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

1
[HazardClass ]

IRRITANT
[HS Code ]

29309090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium bicarbonate-->Sodium sulfite
[Preparation Products]

Thiamphenicol-->1-(BROMOMETHYL)-4-(METHYLSULFONYL)BENZENE-->2-Nitro-4-methylsulfonylbenzoic acid-->4-TOLUENESULFONYLACETIC ACID-->4-(METHYLSULFONYL)BENZONITRILE-->Florfenicol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Methyl-4-(methylsulfonyl)-benzene(3185-99-7).msds
Questions And AnswerBack Directory
[Application]

1-Methyl-4-(methylsulfonyl)-benzene is widely used in the synthesis of the medical antibiotic sulfone toxin, the veterinary antibacterial drug fluprofen, the agricultural herbicide sulfadiazine, and as an important intermediate in organic synthesis, and has significant value.
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO LIGHT BEIGE CRYSTALLINE POWDER
[Synthesis Reference(s)]

Tetrahedron Letters, 32, p. 2933, 1991 DOI: 10.1016/0040-4039(91)80653-N
The Journal of Organic Chemistry, 22, p. 1129, 1957 DOI: 10.1021/jo01360a621
Spectrum DetailBack Directory
[Spectrum Detail]

1-Methyl-4-(methylsulfonyl)-benzene(3185-99-7)MS
1-Methyl-4-(methylsulfonyl)-benzene(3185-99-7)1HNMR
1-Methyl-4-(methylsulfonyl)-benzene(3185-99-7)13CNMR
1-Methyl-4-(methylsulfonyl)-benzene(3185-99-7)IR1
1-Methyl-4-(methylsulfonyl)-benzene(3185-99-7)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl p-tolyl sulfone, 99+%(3185-99-7)
[Alfa Aesar]

Methyl p-tolyl sulfone, 99%(3185-99-7)
[Sigma Aldrich]

3185-99-7(sigmaaldrich)
[TCI AMERICA]

Methyl p-Tolyl Sulfone,>98.0%(GC)(3185-99-7)
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