2,5-Bis(acetoacetylamino)benzenesulfonic acid

Basic Information

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CAS Number

70185-87-4

Molecular Formula

C14H16N2O7S

Molecular Weight

356.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C14H16N2O7S/c1-8(17)5-13(19)15-10-3-4-11(12(7-10)24(21,22)23)16-14(20)6-9(2)18/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,16,20)(H,21,22,23)

InChIKey

DIOSHTLNZVXJOF-UHFFFAOYSA-N

LogP

0.7684999999999997

Topological Polar Surface Area

146.71 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

624

Synonyms & References

English

Benzenesulfonic acid,2,5-bis[(1,3-dioxobutyl)amino]-
2,5-BIS[(1,3-DIOXOBUTYL)AMINO]BENZENESULFONIC ACID
FT-0641272
2,5-bis(3-oxobutanoylamino)benzenesulfonic acid
Benzenesulfonic acid, 2,5-bis((1,3-dioxobutyl)amino)-
2,5-BIS(3-OXOBUTANAMIDO)BENZENESULFONIC ACID
70185-87-4
Benzenesulfonic acid, 2,5-bis[(1,3-dioxobutyl)amino]-
2,5-Bis(acetoacetamido)benzenesulfonic acid
DTXSID8072037
2,5-Diacetoacetamidobenzenesulfonic acid
A836796
2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonicAcid
SCHEMBL10704337
2,5-Bis[(1,3-dioxobutyl)amino]benzenesulfonic acid
L084

MDL Number

MFCD04972525

FAQ

What is 2,5-Bis(acetoacetylamino)benzenesulfonic acid (CAS: 70185-87-4)?

2,5-Bis(acetoacetylamino)benzenesulfonic acid (CAS: 70185-87-4) is a white crystalline solid with a complex molecular structure. It is a derivative of benzenesulfonic acid with acetoacetylamino groups attached to the 2,5 positions. Common properties include solubility in water and a melting point of approximately 220°C.

What are the main uses of 2,5-Bis(acetoacetylamino)benzenesulfonic acid (CAS: 70185-87-4)?

2,5-Bis(acetoacetylamino)benzenesulfonic acid (CAS: 70185-87-4) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in organic synthesis, as a reagent in research settings, and in the production of certain organic compounds.

Is 2,5-Bis(acetoacetylamino)benzenesulfonic acid (CAS: 70185-87-4) safe?

2,5-Bis(acetoacetylamino)benzenesulfonic acid (CAS: 70185-87-4) is generally considered safe under proper handling conditions. However, it should be used and stored with caution, as it may cause skin irritation. Protective gloves and goggles are recommended during handling. Ensure adequate ventilation and avoid inhalation or ingestion.

How should 2,5-Bis(acetoacetylamino)benzenesulfonic acid (CAS: 70185-87-4) be stored?

2,5-Bis(acetoacetylamino)benzenesulfonic acid (CAS: 70185-87-4) should be stored in a cool, dry place away from direct sunlight and heat sources. Optimal storage conditions include a temperature range of 15-25°C and a relative humidity below 60%. Store in a tightly closed container to prevent moisture absorption.