3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide

Basic Information

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CAS Number

25057-89-0

Molecular Formula

C10H12N2O3S

Molecular Weight

240.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

137-139 ºC

Boiling Point

495°C

Flash Point

2 °C

Refractive Index

1.5650 (estimate)

SMILES

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CC(C)N1C(=O)c2ccccc2NS1(=O)=O

InChI

InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3

InChIKey

ZOMSMJKLGFBRBS-UHFFFAOYSA-N

LogP

1.2074999999999998

pKa

pKa (24°): 3.3

Topological Polar Surface Area

66.48 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

385

Safety Information

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GHS Hazard Pictograms

H302

H317

H319

H412

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Sensitiveness

对光敏感

Toxicity

LD50 in male, female rats (mg/kg): 383.2, 433.6 orally (Ugazio)

Synonyms & References

English

Bentazone
Basagran
BAS351H
3-isopropyl-1 H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide(I)
3-isopropyl-1H-benzo-2,1,3-thiadiazin-4one 2,2-dioxide
3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide
3-Isopropyl-3,4-dihydro-2,1,3-benzothiadiazin-4(1H)-one 2,2-dioxide
Bentazone solution
2,2-dioxo-3-propan-2-yl-1H-2λ<sup>6</sup>,1,3-benzothiadiazin-4-one
Bentazon
Bentazon Solution
Bentazon Standard
Bentazone Standard
3-(1-methylethyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
3-(propan-2-yl)-1H-2λ6,1,3-benzothiadiazine-2,2,4(3H)-trione
3-isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
3-isopropyl-2,1,3-benzothiadiazin-4-one-2,2-dioxide
Basagran 480
Bendioxide
Laddok
Leader
Pentazone
Pledge
Benzaxone
Adagio
Basagran 4E
Thiadiazinol
BAS 351H

MDL Number

MFCD00078640

FAQ

What is 3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide (CAS: 25057-89-0)?

3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide is a synthetic organic compound with the CAS number 25057-89-0. It is commonly known as a key intermediate in the synthesis of certain pharmaceuticals, particularly antifungal and anti-inflammatory drugs. The compound is characterized by its heterocyclic structure containing a benzothiadiazine ring and exhibits specific chemical properties that make it valuable in medicinal chemistry.

What are the main uses of 3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide (CAS: 25057-89-0)?

3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide is primarily used as an intermediate in the production of pharmaceuticals, including antifungal agents like terbinafine and anti-inflammatory drugs. It is also utilized in industrial chemical synthesis and research for developing new drug compounds. Its reactivity and structural versatility make it a common choice in organic synthesis processes.

Is 3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide (CAS: 25057-89-0) safe?

3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide is generally considered safe when handled properly. However, it may pose health risks if inhaled, ingested, or exposed to the skin. Safety measures include using personal protective equipment (PPE), ensuring proper ventilation, and following standard chemical handling protocols. It is important to adhere to safety guidelines to minimize potential exposure and ensure safe usage.

How should 3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide (CAS: 25057-89-0) be stored?

3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container to prevent moisture absorption and contamination. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.