4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one

Basic Information

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CAS Number

883065-90-5

Molecular Formula

C13H9N5O5S2

Molecular Weight

379.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

705.721°C at 760 mmHg

Density

1.92±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.8E-3 g/L) (25 ºC),

SMILES

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C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)

InChIKey

QFRLDZGQEZCCJZ-UHFFFAOYSA-N

LogP

2.37090

Complexity

588

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,4-DIHYDRO-5-[(5-NITRO-2-THIAZOLYL)THIO]-3H-1,2,4-TRIAZOL-3-ONE
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one
4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitro-thiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one
BI 78D3
BI-78D3
4-(2,3-Dihydrobenzol[b][1,4]dioxin-6-yl)-5-(5-nitrothiazol-2-ylthio)-4H-1,2,4-triazol-3-ol
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-2-thiazolyl)thio]-1H-1,2,4-triazol-5-one
MLS006010634
BDBM26057
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-one (ACI)
B 3063
BDBM50526695
AC-35341
4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-((5-nitrothiazol-2-yl)thio)-2,4-dihydro-3H-1,2,4-triazol-3-one
GLXC-03951
BI-78D3, >=98% (HPLC)
SR-01000645315-1
BRD-K73982490-001-01-1
EX-A970
JNK Inhibitor X, BI-78D3 - CAS 883065-90-5
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-[(5-NITRO-1,3-THIAZOL-2-YL)SULFANYL]-2H-1,2,4-TRIAZOL-3-ONE
AKOS016006596
HMS3677H22
DTXSID10372629
NCGC00263145-01
HMS3413H22
SMR004701639
CHEBI:94732
BI-78D3?
CHEMBL508280

MDL Number

MFCD01313575

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one (CAS: 883065-90-5)?

The compound 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one (CAS: 883065-90-5) falls under various regulatory guidelines. It should be handled in accordance with GHS classification, REACH regulations, and FDA/EPA requirements for chemical safety. Special attention should be paid to its potential toxicity and reactivity during storage and use.

Are there alternatives to 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one (CAS: 883065-90-5) in synthesis?

In the synthesis of 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one (CAS: 883065-90-5), there are several alternatives and substitute reagents that can be considered, such as other thiazolyl compounds, dioxin derivatives, or triazole analogs. These alternatives can offer similar functional groups but with different reactivity and toxicity profiles.

What is the market or research trend for 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one (CAS: 883065-90-5)?

The market for 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one (CAS: 883065-90-5) is currently focused on its applications in pharmaceutical and industrial research. Recent research trends indicate a growing interest in its potential as a medicinal compound, with a particular focus on its antiviral and anti-inflammatory properties. Market trends show a steady increase in demand for such specialized chemicals.

How should waste containing 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one (CAS: 883065-90-5) be handled?

Waste containing 4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-3-((5-nitrothiazol-2-yl)thio)-1H-1,2,4-triazol-5(4H)-one (CAS: 883065-90-5) should be collected in appropriate containers and stored in a secure location. It should then be disposed of through professional waste disposal services that comply with local regulations. Environmental protection measures, including proper incineration and disposal methods, should be followed to minimize environmental impact.