N-Methyl-N-nitrosotoluene-4-sulphonamide

Basic Information

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CAS Number

80-11-5

Molecular Formula

C8H10N2O3S

Molecular Weight

214.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

61-62 ºC

Boiling Point

320.5ºC at 760 mmHg

Density

1.3844 (rough estimate)

Flash Point

147.6ºC

Refractive Index

1.5690 (estimate)

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)N(C)N=O

InChI

InChI=1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3

InChIKey

FFKZOUIEAHOBHW-UHFFFAOYSA-N

LogP

1.29692

Topological Polar Surface Area

66.81 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

288

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Stability

Stable, but heat sensitive; may also be light sensitive. Incompatible with strong oxidizing agents, alkalies.

Synonyms & References

English

HMS2230C22
N-Nitroso-N-methyl-p-toluenesulfonamide
Benzenesulfonamide, N,4-dimethyl-N-nitroso-
p-Tolylsulfonyl-methyl-nitrosamid [German]
80-11-5
W-104248
Diazale
P-TOLYLSULFONYLMETHYLNITROSAMIDE [MI]
NSC-313
Diazald(R)-N-methyl-13C
STL146734
p-Tolylsulfonyl-methyl-nitrosamid
n-methyl-n-nitrosotoluene-p-sulphonamide
p-Toluenesulfonyl-N-methyl-N-nitrosamide
AB00201
HSDB 5234
N-Methyl-N-nitrosotoluene-4-sulphonamide
SMR000875348
Diazald(R)-N-methyl-d3
N-Nitroso-N-methyl-p-toluenesulfamide
T0323
EINECS 201-252-6
MLS001361349
N-Methyl-N-nitroso, p-toluene sulfonamide
Benzenesulfonamide,4-dimethyl-N-nitroso-
DTXSID8058827
Methylnitroso-p-toluenesulfonamide
Diazald
N-nitroso-N-methyl-4-toluenesulfonamide
NSC313
N-methyl-N-nitrosotoluen-4-sulfonamid

MDL Number

MFCD00002050

Customs Code

2935009090

FAQ

What are the physical and chemical properties of N-Methyl-N-nitrosotoluene-4-sulphonamide (CAS: 80-11-5)?

N-Methyl-N-nitrosotoluene-4-sulphonamide (CAS: 80-11-5) is a white crystalline solid with a molecular weight of approximately 218.13 g/mol. It is slightly soluble in water and has good solubility in organic solvents such as methanol and ethanol. This compound is highly reactive and can undergo hydrolysis and other chemical transformations under certain conditions.

How is N-Methyl-N-nitrosotoluene-4-sulphonamide (CAS: 80-11-5) typically synthesized?

N-Methyl-N-nitrosotoluene-4-sulphonamide (CAS: 80-11-5) can be synthesized using a multi-step process involving nitration of toluene followed by sulphonation and methylation. Common catalysts include sulfuric acid for sulphonation and nitric acid for nitration. The overall yield is around 70-80%, with good selectivity to the desired product.

What industries use N-Methyl-N-nitrosotoluene-4-sulphonamide (CAS: 80-11-5)?

N-Methyl-N-nitrosotoluene-4-sulphonamide (CAS: 80-11-5) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also used in the polymer industry for the modification of polymer properties and in the sensor and semiconductor industries for specific applications requiring this compound's unique chemical properties.

What precautions should be taken when handling N-Methyl-N-nitrosotoluene-4-sulphonamide (CAS: 80-11-5)?

When handling N-Methyl-N-nitrosotoluene-4-sulphonamide (CAS: 80-11-5), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbent materials and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.