Methyl Benzenesulfonate

Basic Information

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CAS Number

80-18-2

Molecular Formula

C7H8O3S

Molecular Weight

172.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

-4 ºC

Boiling Point

280°C

Density

1.3

Water Solubility

Miscible with chloroform, methanol, ethanol and ether. Immiscible with water.

Flash Point

143 ºC

Refractive Index

1.514-1.516

SMILES

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COS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

CZXGXYBOQYQXQD-UHFFFAOYSA-N

LogP

1.0217

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

196

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

PS-10679
methylbenzensulfonat-
LS-32007
69X50842RM
80-18-2
methyl benzene-sulfonate
Q18500364
NSC 3214
NSC-3214
Methyl besylate
Benzenesulfonic acid methyl
METHYL BENZENESULFONATE
Methyl ester of benzenesulphonic acid
4-11-00-00029 (Beilstein Handbook Reference)
NSC3214
AI3-06624
Z45457929
BCP22900
AKOS000120218
MFCD00014737
B0033
EN300-15725
A839862
CCRIS 9156
J-522589
Methyl Benzenesulphonate; Atracurium Besilate Imp. J (EP); Atracurium Imp. J (EP); Atracurium Besilate Impurity J; Atracurium Impurity J
Benzolsulfonsauremethylester
Methyl benzenesulphonate
20ND3-5
CS-0020960
Benzenesulfonic acid, methyl ester

MDL Number

MFCD00014737

Customs Code

2916399090

FAQ

What is Methyl Benzenesulfonate (CAS: 80-18-2)?

Methyl Benzenesulfonate, also known as methyl p-toluenesulfonate, is an organic compound with the chemical formula C8H10O3S. It is a colorless liquid with a characteristic aromatic odor and is commonly used as a methylating agent. The compound is soluble in organic solvents and has a high boiling point, making it suitable for various chemical applications. Its CAS number is 80-18-2.

What are the main uses of Methyl Benzenesulfonate (CAS: 80-18-2)?

Methyl Benzenesulfonate is widely used in the synthesis of organic compounds, particularly as a methylating reagent in pharmaceutical and fine chemical industries. It serves as a key intermediate in the production of certain drugs, dyes, and pesticides. Additionally, it is employed in research for functional group transformations and in the manufacture of specialty chemicals. Due to its reactivity, it is also used in organic synthesis for acylation and alkylation reactions.

Is Methyl Benzenesulfonate (CAS: 80-18-2) safe?

Methyl Benzenesulfonate is considered hazardous and should be handled with care. It can cause skin and eye irritation, and inhalation may lead to respiratory issues. Safety standards recommend using appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Proper ventilation and storage away from incompatible materials are essential to ensure safe handling and minimize exposure risks.

How should Methyl Benzenesulfonate (CAS: 80-18-2) be stored?

Methyl Benzenesulfonate should be stored in a cool, dry, and well-ventilated area, away from heat and direct sunlight. It is best kept in a sealed container made of materials resistant to chemical attack, such as glass or high-density polyethylene. Storage should also avoid exposure to moisture and incompatible substances, and it should be kept in a fire-safe location. Maintain storage conditions below 25°C and ensure humidity levels are controlled.