N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine

Basic Information

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CAS Number

28159-98-0

Molecular Formula

C11H19N5S

Molecular Weight

253.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

126.0 to 130.0 deg-C

Boiling Point

363℃ (e)

Density

1.2

Flash Point

212.6 °C

Refractive Index

1.582

Vapor Pressure

0.0±1.0 mmHg at 25°C

SMILES

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CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC

InChI

InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)

InChIKey

HDHLIWCXDDZUFH-UHFFFAOYSA-N

LogP

2.3782000000000005

Topological Polar Surface Area

62.730000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

251

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Toxicity

LC50 (96 hr in salt water) in mysid shrimp, inland silverside, sheepshead minnow (ng/l): 400000, 1580000, 3500000; LC50 (96 hr in fresh water) in rainbow trout, bluegill sunfish (ng/l): 790000, 2600000 (Hall)

Synonyms & References

English

HDHLIWCXDDZUFH-UHFFFAOYSA-N
FT-0670416
UNII-E7B77O21GH
2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-135-triazine
2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine
Irgarol
1,3,5-Triazine-2,4-diamine, N2-cyclopropyl-N4-(1,1-dimethylethyl)-6-(methylthio)-
Tox21_302267
28159-98-0
SCHEMBL241791
HSDB 8441
D91205
CHEMBL3185551
N(SUP 2)-TERT-BUTYL-N(SUP 4)-CYCLOPROPYL-6-METHYLTHIO-1,3,5-TRIAZINE-2,4-DIAMINE
Q1147281
n-cyclopropyl-n'-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
BS-16875
NS00000272
Irgarol 1051 100 microg/mL in Cyclohexane
1,3,5-Triazine-2,4-diamine, N-cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-
E7B77O21GH
N-tert-Butyl-N-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
C11H19N5S
DTXCID1012416
2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
NCGC00255369-01
Irgarol 1051
DTXSID3032416
CHEBI:5962
?Irgarol
EINECS 248-872-3

MDL Number

MFCD01863779

Customs Code

2933699090

FAQ

What regulatory guidelines apply to N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 28159-98-0)?

N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS 28159-98-0) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication, storage, and disposal. In the European Union, it also adheres to REACH regulations, which require manufacturers and importers to register substances above a certain tonnage. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have specific requirements for its use and handling.

Are there alternatives to N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine in synthesis?

There are alternative reagents used in synthesis that can serve as substitutes for N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS 28159-98-0). Common alternatives include other triazinyl diamines with different substituents. Researchers often explore these alternatives based on the desired properties and reaction conditions, looking for more efficient, environmentally friendly, or less hazardous compounds.

What is the market or research trend for N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 28159-98-0)?

The market trend for N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS 28159-98-0) reflects a growing interest in its use as a broad-spectrum herbicide and fungicide. Recent research focuses on its efficacy, environmental impact, and potential as a sustainable alternative to traditional pesticides. Industry demand is increasing, and price trends are favorable due to its wide application in agriculture and pest control.

How should waste containing N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS: 28159-98-0) be handled?

Waste containing N-Cyclopropyl-N'-(2-methyl-2-propanyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine (CAS 28159-98-0) should be collected in appropriate containers and stored safely to prevent environmental contamination. It should be disposed of through incineration or professional waste disposal services that comply with local and international environmental regulations. Precautions include ensuring proper ventilation during handling and wearing appropriate personal protective equipment to minimize exposure.