2-メチルチオ-4,6-ビス(イソプロピルアミノ)-1,3,5-トリアジン

2-(メチルチオ)-4,6-ビス(イソプロピルアミノ)-1,3,5-トリアジン · セレクチン · N,N'-ジイソプロピル-6-(メチルチオ)-1,3,5-トリアジン-2,4-ジアミン · ゲサガルド · N,N'-ジイソプロピル-4-(メチルチオ)-1,3,5-トリアジン-2,6-ジアミン · メルカジン · 2,4-ビス(イソプロピルアミノ)-6-(メチルチオ)-1,3,5-トリアジン · 2-メチルチオ-4,6-ビス(イソプロピルアミノ)-1,3,5-トリアジン

https://huagongshe.com/ja/chemical/4929

2-メチルチオ-4,6-ビス(イソプロピルアミノ)-1,3,5-トリアジンの分子構造式

識別子と物理属性

CAS No.	1705649-52-0
分子式	C10H19N5S
平均分子量	241.36 g/mol
単同位体質量	241.13611661 g/mol
SMILES	CSc1nc(NC(C)C)nc(NC(C)C)n1
InChIKey	AAEVYOVXGOFMJO-UHFFFAOYSA-N
PubChem CID	4929
ChEMBL	CHEMBL1880257
ChEBI	CHEBI:26276
EC No.	109-879-6
DTXSID	DTXSID4024272
現地名	2-メチルチオ-4,6-ビス(イソプロピルアミノ)-1,3,5-トリアジン

化学・物理的性質

XLogP	3.5
極性表面積	88
水素結合供与体数	2
水素結合受容体数	6
回転可能結合数	5
重原子数	16
形式電荷	0
複雑度	182
SpringerMaterials Properties	Boiling point
農薬	Pesticide -> EPA IRISHerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, TriazinePesticides -> Herbicides -> Triazine herbicides -> Methylthiotriazine herbicides
LogP（分配係数）	log Kow = 3.513.36
臭い	Odorless.
密度	1.157 g/cu cm at 20 °C
Color/Form	CrystalsWhite powderWHITE SOLID
溶解度	Solubilities in organic solvents at 25 °C. [Table#4783]Solubilities in organic solvents at 20 °C [Table#4784]In water solubility, 33 mg/L at 25 °C6.3g/L in organic solvents at 20 ℃48.27mg/L(20℃)
Corrosivity	Non-corrosive under normal application conditions
Endocrine Disruptors	Potential endocrine disrupting compound
Decomposition	When heated to decomposition it emits very toxic fumes of /nitrous and sulfoxides/.
融点	119 °C118-120°C
蒸気圧	0.000002 [mmHg]1.24X10-6 mm Hg at 25 °C0Pa at 25℃
沸点	309.64°C (rough estimate)
屈折率	1.5500 (estimate)
引火点	2 °C
貯蔵条件	Keep in dark place,Sealed in dry,2-8°C
pKa（酸解離定数）	3.76±0.41(Predicted)
外観・状態	Solid
色	White to off-white
Merck	13,7881
BRN	613575
ヘンリー定数	8.2×102 mol/(m3Pa) at 25℃, HSDB (2015)
主な用途	農業環境
InChI	1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKey	AAEVYOVXGOFMJO-UHFFFAOYSA-N
SMILES	CSc1nc(NC(C)C)nc(NC(C)C)n1
LogP（分配係数）	3.1 at 25℃
CAS データベース	7287-19-6(CAS DataBase Reference)
NISTの化学物質情報	1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-(7287-19-6)
EPAの化学物質情報	Prometryn (7287-19-6)

化学的特性

Colorless crystalline solid.

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 3.2% (3 of 94) of reports.WarningH332 (43.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 94 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Hazard Traits - Environmental toxPrometryn is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Status: Active Update: 15-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32336Prometryn: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
その他の安全情報	IMAP assessments - 1,3,5-Triazine-2,4-diamine, N,N'-bis(1-methylethyl)-6-(methylthio)-: Human health tier I assessment
輸送ラベル（DOT）	Class 9
火災危険	Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
健康有害性	Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
有害性の概要	For the triazine herbicides, systemic toxicity unlikely unless large amounts are ingestedMay cause irritation[EPA Pesticides, p. 121] A mild eye irritant[HSDB] May cause irritation[MSDSonline] 2021 TLV Basis: liver and kidney damage, bone marrow effects. and maternal and fetal toxicityNo human studies available[ACGIH]The major hazards encountered in the use and handling of prometryne stem from its toxicologic properties. Toxic by inhalation and ingestion, exposure to this colorless to white, crystalline substance may occur from its manufacture, formulation, and use as an herbicide. Effects from exposure may include shortness of breath, muscle spasms, ataxia, and anorexia. In activities and situations where over exposure may occur, wear a self-contained breathing apparatus and personal protective clothing. If contact should occur, immediately flush affected skin or eyes with running water for at least 15 minutes. Remove contaminated clothing and shoes at the site. While prometryne does not ignite easily, it may burn with the production of irritating and poisonous gases. For fires involving prometryne, extinguish with dry chemical, CO2, Halon, water spray, fog, or standard foam. Prometryne may be shipped domestically via air, rail, road, and water, in containers bearing the label "Poison". Small dry spills of prometryne may be placed into a clean, dry, covered container for later disposal (liquid solutions are first absorbed in sand or other noncombustible absorbent). Large liquid spills should be diked far ahead to prevent prometryne from entering water sources and sewers. Before implementing land disposal of prometryne, consult with regulatory agencies for guidance.

用途

説明

Prometryn can be used in Pre- and postemergence to Control Annual grasses, broadleaf weeds.

使用

Prometryn is a methylthiotriazine herbicide used for the control of several annual grasses and broadleaf weeds. Prometryn works by inhibiting the electron transport in target broadleaves and grasses.

一般的な説明

Colorless crystals. Used as an herbicide.

製法・合成法

調製方法

Prometryne is made either by reacting propazine with methyl mercaptan in the presence of one equivalent of NaOH or by reacting 2-mercapto-4,6-bis(isopropylamino)-5-triazine with a methylating agent in the presence of NaOH.Prometryne is made either by reacting propazine with methyl mercaptan in the presence of one equivalent of NaOH or by reacting 2-mercapto-4,6-bis(isopropylamino)-5-triazine with a methylating agent in the presence of NaOH.