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  • Metamitron
Name:Metamitron
CAS No:41394-05-2

PRODUCT DESCRIPTION

【Name】
Metamitron
【Iupac name】
4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one
【CAS Registry number】
41394-05-2
【Synonyms】
3-Methyl-4-amino-6-phenyl-1,2,4-triazin-5(4H)-one
4-amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one
4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one
DRW 1139
Goltix
【EINECS(EC#)】
255-349-3
【Molecular Formula】
C10H10N4O (Products with the same molecular formula)
【Molecular Weight】
202.21
【Inchi】
InChI=1/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
【Canonical SMILES】
CC1=NN=C(C(=O)N1N)C2=CC=CC=C2
【MOL File】
41394-05-2.mol

Chemical and Physical Properties

【Appearance】
ligh yellow crystall
【Density】
1.34 g/cm3
【Melting Point】
167-170℃
【Boiling Point】
335.8 °C at 760 mmHg
【Refractive Index】
1.672
【Flash Point】
156.9 °C
【Solubilities】
Soluble
【Stability】
No data.
【Storage temp】
APPROX 4°C
【Computed Properties】
Molecular Weight:202.2126 [g/mol]
Molecular Formula:C10H10N4O
XLogP3:0.7
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:1
Exact Mass:202.085461
MonoIsotopic Mass:202.085461
Topological Polar Surface Area:71
Heavy Atom Count:15
Formal Charge:0
Complexity:328
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xn:Harmful;N:Dangerousfortheenvironment;
【Risk Statements】
R22;R50
【Safety Statements 】
S61
【Transport】
UN 3077

Use and Manufacturing

【Usage】

Substance is used as a herbicide.

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