4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one

Basic Information

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CAS Number

41394-05-2

Molecular Formula

C10H10N4O

Molecular Weight

202.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

167-170 °C

Boiling Point

335.8°C at 760 mmHg

Flash Point

11 °C

Refractive Index

1.6300 (estimate)

SMILES

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CC1=NN=C(C(=O)N1N)C2=CC=CC=C2

InChI

InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3

InChIKey

VHCNQEUWZYOAEV-UHFFFAOYSA-N

LogP

0.3275199999999996

Topological Polar Surface Area

73.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

328

Safety Information

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GHS Hazard Pictograms

H302

H400

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 orally in male, female rats, male, female mice: 3343, 1832, 1450, 1463 mg/kg; dermally in rats: >500 mg/kg; LC50 (4 hr) in rats, mice, hamsters (mg/m3): >331, >206, >206 by inhalation (Lembrich)

Synonyms & References

English

Metamitron 100 microg/mL in Acetonitrile
4-amino-3-methyl-6-phenyl-4,5-dihydro-1,2,4-triazin-5-one
BIDD:ER0471
3-Methyl-4-amino-6-phenyl-1,2,4-triazin(4H)-one
M2388
Methiamitron [Belgium]
METAMITRON [MI]
Metamitrone [ISO-French]
CAS-41394-05-2
A825543
Metamitron [BSI:ISO]
Metamiton
4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-(4H)-one
as-Triazin-5(4H)-one, 4-amino-3-methyl-6-phenyl-
Q2293747
MFCD00055524
3-Methyl-4-amino-6-phenyl-1,2,4-triazin-5(4H)-one
BAY-DRW 1139
CHEBI:6791
CS-W015509
NS00010410
METAMITRON
Metamitrone
4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one
3-Methyl-4-amino-6-phenyl-1,2,4-triazin(4H)-on [German]
SCHEMBL66369
AS-13452
1,2,4-Triazin-5(4H)-one, 4-amino-3-methyl-6-phenyl-
4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one, 97%
DTXCID5027568
Metamitron 10 microg/mL in Acetonitrile

MDL Number

MFCD00055524

Customs Code

2933699014

FAQ

What regulatory guidelines apply to 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one (CAS: 41394-05-2)?

The compound 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one (CAS: 41394-05-2) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and must be labeled with appropriate hazard statements. Additionally, it is regulated under the REACH regulations in the European Union, requiring manufacturers and importers to register the substance if its tonnage exceeds certain thresholds. In the United States, the FDA and EPA have specific requirements for its handling and environmental discharge due to its potential use in agriculture and pharmaceuticals.

Are there alternatives to 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one in synthesis?

There are alternative reagents that can be used in the synthesis of 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one (CAS: 41394-05-2). For instance, other triazines with different substituents can be used as suitable alternatives, such as 4-amino-6-phenyl-1,2,4-triazin-5(4H)-one or 4-amino-3-methyl-6-(2-methoxyphenyl)-1,2,4-triazin-5(4H)-one. These alternatives can offer similar functionalities but with different chemical profiles.

What is the market or research trend for 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one (CAS: 41394-05-2)?

The market for 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one (CAS: 41394-05-2) is primarily driven by its applications in agriculture and pharmaceuticals. Research trends indicate a growing interest in its use as a herbicide and fungicide, particularly in crops resistant to traditional herbicides. Additionally, there is increasing research into its potential as an anti-inflammatory and analgesic agent. The compound is also being explored for its biological activity in various other fields.

How should waste containing 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one (CAS: 41394-05-2) be handled?

Waste containing 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one (CAS: 41394-05-2) should be collected in appropriate containers and disposed of via incineration or professional waste disposal services. Environmental protection precautions must be taken during collection to prevent contamination of soil and water. It is essential to follow local and national regulations for hazardous waste disposal, ensuring that the waste is treated in a manner that minimizes environmental impact and complies with safety standards.