ChemicalBook CAS DataBase List 1014-70-6

1014-70-6

Name	2,4-Bis(ethylamino)-6-(methylthio)-1,3,5-triazine
CAS	1014-70-6
EINECS(EC#)	213-801-7
Molecular Formula	C8H15N5S
MDL Number	MFCD00078720
Molecular Weight	213.3
MOL File	1014-70-6.mol

Synonyms

2,4-BIS(ETHYLAMINO)-6-METHYLTHIO-1,3,5-TRIAZINE AURORA KA-3877 G32911 GY-BON GYBON(R) N,N'-DIETHYL-6-(METHYLTHIO)-1,3,5-TRIAZINE-2,4-DIAMINE SIMETRYN SIMETRYNE 1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(methylthio)- 1,3,5-Triazine-2,4-diamine,N,N’-diet 2-(Methylmercapto)-4,6-bis(ethylamino)-s-triazine 2-(Methylthio)-4,6-bis(ethylamino)-s-triazine 2,4-Bis(ethylamino)-6-(methylmercapto)-s-triazine 2,4-bis(ethylamino)-6-(methylthio)-s-triazin 2,4-Bis(ethylamino)-6-(methylthio)-s-triazine 2,4-bis(Ethylamino)-6-methylmercapto-S-triazine 2-methylmercapto-4,6-bis(ethylamino)-s-triazine 2-methylthio-4,6-bis(ethylamino)-1,3,5-triazine 2-methylthio-4,6-bis(ethylamino)-s-triazine 2-Methylthio-4,6-bis(monoethylamino)-2-triazine

Chemical Properties

Melting point	82-83°C
Boiling point	312.8°C (rough estimate)
density	1.1553 (rough estimate)
refractive index	1.5500 (estimate)
storage temp.	0-6°C
solubility	DMF: 30 mg/mL; DMSO: 30 mg/mL; Ethanol: 30 mg/mL; Ethanol:PBS (pH 7.2) (1:4): 0.2 mg/mL
form	neat
pka	4.05±0.10(Predicted)
color	White to off-white
Water Solubility	0.45g/L(room temperature)
Merck	13,8610
BRN	11728
Henry's Law Constant	2.2×10⁴ mol/(m³Pa) at 25℃, Duchowicz et al. (2020)
Major Application	agriculture environmental
InChI	1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
InChIKey	MGLWZSOBALDPEK-UHFFFAOYSA-N
SMILES	CCNc1nc(NCC)nc(SC)n1
CAS DataBase Reference	1014-70-6(CAS DataBase Reference)
NIST Chemistry Reference	2-Methylthio-4,6-bis(ethylamino)-1,3,5-triazine(1014-70-6)
EPA Substance Registry System	1014-70-6(EPA Substance)

Safety Data

Hazard Codes	Xn;N,N,Xn
Risk Statements	R22:Harmful if swallowed. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . less more
Safety Statements	S2:Keep out of the reach of children . S60:This material and/or its container must be disposed of as hazardous waste . S61:Avoid release to the environment. Refer to special instructions safety data sheet . less more
RIDADR	UN 3077 9/PG 3
WGK Germany	3
RTECS	XY4025000
HS Code	29336990
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1
Toxicity	LD50 orally in rats: 1830 mg/kg (Edson) less more

Raw materials And Preparation Products

Hazard Information

Description

Simetryne is a white crystal, easily soluble in methanol, ethanol, chloroform and other organic solvents; its solubility in water is 450mg/L at 22°C. It is easily decomposed in case of acid, alkali or high temperature. It is a selective, systemic and transmissible triazepine herbicide, which can be absorbed through the roots and leaves of weeds, and transmitted to the whole body of the plant, inhibiting the photosynthesis of weeds, and causing the leaves to die due to lack of greenness and yellowing.

Uses

Herbicide.

Uses

Simetryne is mainly used in paddy field to prevent barnyardgrass, ox hair grass, sagebrush, Alisma, wild cigu, mother grass, Xiaoci grass, etc. It can be used in combination with salamander and butachlor to expand the herbicide spectrum and can also be used for corn. , soybean, wheat, peanut, cotton and other weeding.

Uses

Simetyrn is an methylthiotriazine based herbicide used in rice paddy.

Definition

ChEBI: A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a methylthio group at position 6.

Mechanism of action

Selective systemic, absorbed through roots and foliage, inhibits photosynthesis (photosystem II).

Synthesis

In the presence of sodium hydroxide, cyanuric chloride reacts with monoethylamine and sodium methyl mercaptan to give Simetryne.

storage

Store at -20°C

Pesticide Type

Herbicide

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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