CAS 1014-70-6|Simetryn

Introduction：Basic information about CAS 1014-70-6|Simetryn, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Simetryn BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles19
8. Synonyms

Common Name	Simetryn
CAS Number	1014-70-6	Molecular Weight	213.303
Density	1.3±0.1 g/cm3	Boiling Point	302.5±25.0 °C at 760 mmHg
Molecular Formula	C₈H₁₅N₅S	Melting Point	82-83°C
MSDS	ChineseUSA	Flash Point	136.8±23.2 °C
Symbol	GHS07, GHS09	Signal Word	Warning

Names

Name	simetryn
Synonym	More Synonyms

Simetryn BiologicalActivity

Description	Simetryn is a herbicide with the LC50 of 16.9-3.70 mg/L (79.3-17.4 microM.
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Others
References	[1]. Saka M. Acute toxicity of rice paddy herbicides simetryn, mefenacet, and thiobencarb to Silurana tropicalis tadpoles. Ecotoxicol Environ Saf. 2010 Sep;73(6):1165-9. [2]. Saka M, et al. Application of an amphibian (Silurana tropicalis) metamorphosis assay to the testing of the chronic toxicity of three rice paddy herbicides: simetryn, mefenacet, and thiobencarb. Ecotoxicol Environ Saf. 2013 Jun;92:135-43.

Description

Simetryn is a herbicide with the LC50 of 16.9-3.70 mg/L (79.3-17.4 microM.

Related Catalog

Signaling Pathways >>Others >>OthersResearch Areas >>Others

References

[1]. Saka M. Acute toxicity of rice paddy herbicides simetryn, mefenacet, and thiobencarb to Silurana tropicalis tadpoles. Ecotoxicol Environ Saf. 2010 Sep;73(6):1165-9.

[2]. Saka M, et al. Application of an amphibian (Silurana tropicalis) metamorphosis assay to the testing of the chronic toxicity of three rice paddy herbicides: simetryn, mefenacet, and thiobencarb. Ecotoxicol Environ Saf. 2013 Jun;92:135-43.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	302.5±25.0 °C at 760 mmHg
Melting Point	82-83°C
Molecular Formula	C₈H₁₅N₅S
Molecular Weight	213.303
Flash Point	136.8±23.2 °C
Exact Mass	213.104813
PSA	88.03000
LogP	1.21
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.623
InChIKey	MGLWZSOBALDPEK-UHFFFAOYSA-N
SMILES	CCNc1nc(NCC)nc(SC)n1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XY4025000

CHEMICAL NAME :: s-Triazine, 2,4-bis(ethylamino)-6-(methylthio)-

CAS REGISTRY NUMBER :: 1014-70-6

BEILSTEIN REFERENCE NO. :: 0011728

LAST UPDATED :: 199612

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C8-H15-N5-S

MOLECULAR WEIGHT :: 213.34

WISWESSER LINE NOTATION :: T6N CN ENJ BS1 DM2 FM2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 5,207,1976

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >4880 mg/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >3100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 196 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 395 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 328 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 640 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 13650 mg/kg/13W-C

TOXIC EFFECTS :: Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 90720 mg/kg/2Y-C

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 27300 mg/kg/13W-C

TOXIC EFFECTS :: Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 526 gm/kg/2Y-C

TOXIC EFFECTS :: Liver - fatty liver degeneration Liver - changes in liver weight Endocrine - changes in thyroid weight

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 780 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

REFERENCE :: NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 17,S315,1992

Safety Information

Symbol	GHS07, GHS09
Signal Word	Warning
Hazard Statements	H302-H332-H410
Precautionary Statements	P273-P501
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn:Harmful;N:Dangerousfortheenvironment;
Risk Phrases	R22;R50/53
Safety Phrases	S2-S60-S61
RIDADR	UN 3077 9/PG 3
WGK Germany	3.0
RTECS	XY4025000
Hazard Class	9.0
HS Code	2933699012

Customs

HS Code	2933699012
Summary	2933699012 n2-(tert-butyl)-n4-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0%

Articles19

Development of a Matrix Solid Phase Dispersion methodology for the determination of triazine herbicides in mussels.

Food Chem. 173 , 391-6, (2014)

A method based on Matrix Solid Phase Dispersion (MSPD) for determination of nine triazines in mussels has been optimised in terms of the sorbents used for extracting and cleaning-up. Two dispersing ag...

Mineralization of s-triazine herbicides by a newly isolated Nocardioides species strain DN36.

Appl. Microbiol. Biotechnol. 86(5) , 1585-92, (2010)

A novel s-triazine-mineralizing bacterium-Nocardioides sp. strain DN36-was isolated from paddy field soil treated with ring-U-(14)C-labeled simetryn ([(14)C]simetryn) in a model paddy ecosystem (micro...

Comparison between the short-term and the long-term toxicity of six triazine herbicides on photobacteria Q67

Water Res. 43(6) , 1731-9, (2009)

The bioluminescence inhibition of six triazine herbicides including desmetryne (DES), simetryn (SIM), velpar (VEL), prometon (PRO), metribuzin (MET), and aminotriazine (AMI) on Vibrio qinghaiensis sp....

Synonyms

Ethanamine, N,N'-[6-(methylthio)-1,3,5-triazine-2,4(1H,3H)-diylidene]bis-

Symetryne

GY-Bon

SIMETRYNE

N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine

(2Z,4E)-N,N'-Diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4(1H,3H)-diimine

N2,N4-diethyl-6-methylthio-1,3,5-triazine-2,4-diamine

Simetryn

N,N’-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine

MFCD00078720

1,3,5-Triazine-2,4-diamine, N,N-diethyl-6-(methylthio)-

EINECS 213-801-7

Cymetrin

2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

N2,N4-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine

Caswell No. 094B

Recommended......