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Methyl p-tolyl sulfone

Methyl p-tolyl sulfone structure

CAS No:
3185-99-7
Formula:
C8H10O2S
Chemical Name:
Methyl p-tolyl sulfone
Synonyms:
Benzene,1-methyl-4-(methylsulfonyl)-;Sulfone,methyl p-tolyl;1-Methyl-4-(methylsulfonyl)benzene;p-Tolyl methyl sulfone;Methyl p-tolyl sulfone;Methyl 4-methylphenyl sulfone;Methyl 4-tolyl sulfone;p-(Methylsulfonyl)toluene;(p-Tolylsulfonyl)methane;4-Methylsulfonyltoluene;Methyl p-methylphenyl sulfone;NSC 2722;NSC 29038;4-Methylphenyl methyl sulfone;1-(Methylsulfonyl)-4-methylbenzene;4-Methylsulfonyl-1-methylbenzene;4-(Methanesulfonyl)toluene;1-Methanesulfonyl-4-methylbenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

WHITE TO LIGHT BEIGE CRYSTALLINE POWDER

Methyl p-tolyl sulfone Basic Attributes

Molecular Weight：

170.22900

Exact Mass：

170.23

EC Number：

221-682-8

UNII：

TG77SM513A

NSC Number：

29038|2722

DSSTox ID：

DTXSID6075229

HScode：

2904100000

Characteristics

PSA：

42.52000

XLogP3：

2.2

Appearance：

white to yellowish crystalline powder

Density：

1.154 g/cm3

Melting Point：

89 °C @ Solvent: Benzene

Boiling Point：

90 °C

Flash Point：

173.4ºC

Refractive Index：

1.519

Water Solubility：

0.01 M

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22; R37/38; R41

safety instructions：

S26-S36

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl p-tolyl sulfone Use and Manufacturing

Used as pharmaceutical intermediates.

Computed Properties

Molecular Weight:170.23
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.04015073
Monoisotopic Mass:170.04015073
Topological Polar Surface Area:42.5
Heavy Atom Count:11
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Toluene

Sodium bicarbonate

Ethanol

Methanol

Dimethyl sulfoxide

Dimethyl sulfate

Hydrogen peroxide

Sodium sulfite

Chloroacetic acid

Tosyl chloride

Downstream Products

Toluene

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