N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide

Basic Information

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CAS Number

7146-67-0

Molecular Formula

C11H17NO4S

Molecular Weight

259.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

98.0 to 102.0 deg-C

Boiling Point

452.4°C at 760 mmHg

Density

1.2812 (rough estimate)

Flash Point

227.4°C

Refractive Index

1.5500 (estimate)

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C11H17NO4S/c1-10-2-4-11(5-3-10)17(15,16)12(6-8-13)7-9-14/h2-5,13-14H,6-9H2,1H3

InChIKey

NHFJDXPINIIUQG-UHFFFAOYSA-N

LogP

-0.02968000000000004

Topological Polar Surface Area

77.84 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

298

Synonyms & References

English

D88916
N,N-bis(2-hydroxyethyl)-4-methyl-benzenesulfonamide
N,N-bis(2-hydroxyethyl)-4-methylbenzene-1-sulfonamide
N,N-Bis(2-hydroxyethyl)-p-toluenesulphonamide
J4FN4U7FGP
NSC 46865
NSC23811
N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
p-Toluenesulfonamide, N,N-bis(2-hydroxyethyl)-
W-104525
CS-0204785
NSC 23811
EINECS 230-455-2
N,N-bis(2-hydroxyethyl)-4-toluenesulfonamide
SCHEMBL218536
Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl-
7146-67-0
(Chloromethyl)dimethyl-pentylsilane
HMS1608I17
Benzenesulfonamide, N,N-bis(2-hydroxyethyl)-4-methyl-
DTXSID40221676
CCG-103810
AS-68425
EU-0067858
Z797585794
NSC46865
N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide #
NSC-23811
AKOS001591410
NS00037210
SR-01000076268-1

MDL Number

MFCD00020582

Customs Code

2935009090

FAQ

What are the physical and chemical properties of N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide (CAS: 7146-67-0)?

N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide (CAS: 7146-67-0) is a white crystalline solid with a molecular weight of approximately 269.27 g/mol. It is slightly soluble in water and has a pKa of about 7.4. The compound is moderately reactive towards nucleophiles and is used in various synthetic applications due to its amide functionality. It also shows activity as a potential histone deacetylase inhibitor in biochemistry.

How is N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide (CAS: 7146-67-0) typically synthesized?

N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide can be synthesized by reacting 4-methylbenzenesulfonic acid with ethylene glycol in the presence of a strong base such as potassium hydroxide. The reaction proceeds via a nucleophilic substitution mechanism, yielding the desired amide product with good selectivity and yield. Conditions are typically carried out at elevated temperatures and under inert atmosphere to prevent side reactions.

What industries use N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide (CAS: 7146-67-0)?

N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide (CAS: 7146-67-0) finds application in pharmaceuticals as a potential intermediate in the synthesis of drugs, particularly those targeting histone deacetylase activity. It is also used in the production of certain polymers and as a reagent in analytical chemistry for sensor development. Additionally, it has applications in semiconductor manufacturing.

What precautions should be taken when handling N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide (CAS: 7146-67-0)?

When handling N,N-Bis(2-hydroxyethyl)-4-methylbenzenesulfonamide (CAS: 7146-67-0), it is essential to wear appropriate personal protective equipment (PPE), including gloves, laboratory coat, and safety glasses. The compound should be handled in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.