2-クロロ-4,6-ビス(イソプロピルアミノ)-1,3,5-トリアジン

プランツリン · プロジネックス · 2,4-ビス(イソプロピルアミノ)-6-クロロ-1,3,5-トリアジン · N,N'-ジイソプロピル-6-クロロ-1,3,5-トリアジン-2,4-ジアミン · プロパジン · ガイギー30028 · ゲサミル · プリマトールP

https://huagongshe.com/ja/chemical/4937

2-クロロ-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.	139-40-2
分子式	C9H16N5Cl
平均分子量	229.71 g/mol
単同位体質量	229.10942319 g/mol
SMILES	CC(C)Nc1nc(Cl)nc(NC(C)C)n1
InChIKey	WJNRPILHGGKWCK-UHFFFAOYSA-N
PubChem CID	4937
ChEMBL	CHEMBL1333189
ChEBI	CHEBI:38067
EC No.	109-875-4
DTXSID	DTXSID3021196
現地名	2-クロロ-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	2.9
極性表面積	62.7
水素結合供与体数	2
水素結合受容体数	5
回転可能結合数	4
重原子数	15
形式電荷	0
複雑度	169
pH	Very weak base
SpringerMaterials Properties	Boiling point
農薬	Pesticide -> EPA IRISHerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, TriazinePesticides -> Herbicides
LogP（分配係数）	log Kow = 2.933.09
密度	1.162 g/cu cm at 20 °C1.162 g/cm³
Color/Form	Colorless powderCrystals
溶解度	6.2 benzene6.2 toluene2.5 carbon tetrachloride5 diethyl ether (all in g/kg at 20 °CDifficult to dissolve in organic solventsIn water, 8.6 mg/L at 22 °CSolubility in water at 22 °C: very poorChloroform (Heated), DMSO (Slightly), Methanol (Slightly)8.6mg/L(22℃)
Corrosivity	NONCORROSIVE UNDER NORMAL USE CONDITIONS
Endocrine Disruptors	Potential endocrine disrupting compound
Decomposition	When heated to decomposition it emits toxic fumes of nitroxides and Cl-.
融点	229.7 °C213 °C212-214°C
蒸気圧	0.00000013 [mmHg]1.31X10-7 mm Hg at 25 °Cnegligible0Pa at 25℃
沸点	368.7°C (rough estimate)
屈折率	1.6110 (estimate)
引火点	11 °C
貯蔵条件	APPROX 4°C
pKa（酸解離定数）	2.28±0.10(Predicted)
Merck	13,7904
BRN	747081
ヘンリー定数	2.1×103 mol/(m3Pa) at 25℃, HSDB (2015)
主な用途	農業洗浄剤化粧品環境食品および飲料パーソナルケア
InChI	1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKey	WJNRPILHGGKWCK-UHFFFAOYSA-N
SMILES	CC(C)Nc1nc(Cl)nc(NC(C)C)n1
LogP（分配係数）	3.01 at 25℃ and pH7.1
CAS データベース	139-40-2(CAS DataBase Reference)
NISTの化学物質情報	1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-(139-40-2)
EPAの化学物質情報	Propazine (139-40-2)

化学的特性

2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine is a colorless crystalline solid or powder.

安全性と法規制

GHS 分類	WarningH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
規制情報	Hazard Traits - Developmental ToxicityReproductive Toxicity2002/2076Status: Active Update: 14-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/10793Propazine: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	IMAP assessments - 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1-methylethyl)-: Environment tier I assessment
火災危険	Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Heating will cause rise in pressure with risk of bursting.
火災の可能性	NONFLAMMABLE.
有害性の概要	An eye irritant[ICSC] A mild skin, eye, and upper respiratory tract irritant[HSDB] For the triazine herbicides, systemic toxicity unlikely unless large amounts are ingestedMay cause irritation[EPA Pesticides, p. 121]The major hazards encountered in the use and handling of propazine stem from its toxicologic properties. Toxic by all routes (ie, inhalation, ingestion, and dermal contact), exposure to this colorless powder may occur from its maufacture 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 propazine does not ignite easily, it may burn with the production of irritating and poisonous gases. For fires involving propazine, extinguish with dry chemical, CO2, Halon, water spray, fog, or standard foam. Propazine may be shipped domestically via air, rail, road, and water, in containers bearing the label "Poison". Small dry spills of propazine 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 propazine from entering water sources and sewers. Before implementing land disposal of propazine, consult with regulatory agencies for guidance.

用途

林業用除草剤(失効農薬) (NITE CHRIP)

使用

2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine is used to control annual grasses and broad-leaved weeds in milo and sweet sorghum.