4-Acetamido-2-aminobenzenesulfonic acid

Basic Information

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CAS Number

88-64-2

Molecular Formula

C8H10N2O4S

Molecular Weight

230.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

90-92 °C

Density

1.4655 (rough estimate)

Refractive Index

1.5690 (estimate)

SMILES

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CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N

InChI

InChI=1S/C8H10N2O4S/c1-5(11)10-6-2-3-8(7(9)4-6)15(12,13)14/h2-4H,9H2,1H3,(H,10,11)(H,12,13,14)

InChIKey

FOINSAWEWXUXPQ-UHFFFAOYSA-N

LogP

0.47390000000000004

Topological Polar Surface Area

109.49 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

335

Synonyms & References

English

4-(Acetylamino)-2-aminobenzenesulfonic acid
Benzenesulfonic acid, 4-acetamido-2-amino-
3-Amino acetanilide-4-sulfonic acid
FOINSAWEWXUXPQ-UHFFFAOYSA-N
2-amino-4-acetamidobenzene-1-sulfonic acid
FT-0631419
NSC36986
2-amino-4-acetamidobenzenesulfonic acid
D88488
4-acetamido-2-amino-benzenesulfonate;4-Acetamido-2-aminobenzenesulfonic acid
NSC 36986
CS-W014183
3-14-00-02203 (Beilstein Handbook Reference)
SCHEMBL1755227
3-acetylamino-1-aminobenzene-6-sulphonic acid
WLN: WSQR BZ DMV1
ACETANILIDE-4-SULPHONIC ACID, 3-AMINO-
2-Amino-4-(acetylamino)benzenesulfonic acid
W-100396
DTXSID6058974
5-Azetylamino-2-sulfoanilin
AKOS015897403
AS-64086
UNII-QE27AMZ5ZC
4-acetamido-2-aminobenzensulfonsyre
5-Acetylaminoaniline-2-sulfonic acid
BENZENESULPHONIC ACID, 4-(ACETYLAMINO)-2-AMINO-
NSC-36986
88-64-2
3-Aminoacetanilide-4-sulfonic acid
BRN 3335986

MDL Number

MFCD00035752

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 4-Acetamido-2-aminobenzenesulfonic acid (CAS: 88-64-2)?

4-Acetamido-2-aminobenzenesulfonic acid is a white crystalline solid with a molecular weight of approximately 250.24 g/mol. It has a solubility of about 3.6 g/L in water at 25°C. Chemically, it is highly reactive, particularly in acidic or basic conditions, and can undergo various reactions such as esterification and sulfonation.

How is 4-Acetamido-2-aminobenzenesulfonic acid (CAS: 88-64-2) typically synthesized?

4-Acetamido-2-aminobenzenesulfonic acid is typically synthesized via the sulfonation of 4-acetamido-2-aminobenzenesulfonate. The reaction involves the use of fuming sulfuric acid as the sulfonating agent under heated conditions (typically 120-150°C) with careful control to achieve high selectivity and yield.

What industries use 4-Acetamido-2-aminobenzenesulfonic acid (CAS: 88-64-2)?

4-Acetamido-2-aminobenzenesulfonic acid is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It also finds applications in the polymer industry for improving the properties of plastics and in the electronics industry for the production of sensors and semiconductors.

What precautions should be taken when handling 4-Acetamido-2-aminobenzenesulfonic acid (CAS: 88-64-2)?

When handling 4-Acetamido-2-aminobenzenesulfonic acid, it is crucial to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, it should be cleaned up promptly using appropriate materials, and the area should be thoroughly rinsed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.