化学百科 / Pharmaceutical Intermediates / Custom Manufacturing

ディクロフェンション

CAS：97-17-6
MW:315.153181
MF：C10H13Cl2O3PS

DICHLOFENTHION, with the chemical formula C10H14Cl2O2PS and CAS registry number 97-17-6, is a compound known for its use as an organophosphorus insecticide. This colorless to light yellow liquid is characterized by its dichloro and phosphorothioate functional groups. It is commonly used to control a wide range of pests in agriculture and horticulture, including aphids, mites, and whiteflies. DICHLOFENTHION acts by inhibiting the activity of acetylcholinesterase, an enzyme essential for the proper functioning of the nervous system in insects. However, it is important to note that DICHLOFENTHION has been classified as a hazardous substance and should be handled with care. It is recommended to follow proper safety precautions and guidelines when using this compound.

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名前と識別子
性質
安全文
MSDS情報
その他の情報
計算化学データ

1. 名前と識別子

1.1 商品名: ディクロフェンション

1.2 同義語: nemacidevc-13; o、o-diaethyl-o-2,4-dichlor-phenyl-monothiophosphat; O、O-Diaethyl-O-2,4-dichlorphenyl-thionophosphat; O、O-Diethyl O-（2,4-ジクロロフェニル）チオホスフェート; O、O-ジエチル-O-（2,4-ジクロロ-フェニル）-モノチオホスファト; o、o-ジエチルo-2,4-ジクロロフェニルチオホスフェート; O、O-ジエチル-O-（2,4-ジクロロ-フェニル）-モノチオホスファト;フェノール、2,4-ジクロロ-、O-エステルとO、O-ジエチルホスホロチオエート

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1.3 CAS No.: 97-17-6

1.4 CID: 7328

1.5 EINECS番号: 202-564-5

1.6 分子式: C10H13Cl2O3PS

1.7 Inchi: InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3

1.8 InchiKey: WGOWCPGHOCIHBW-UHFFFAOYSA-N

1.9 標準的な SMILES: CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl

1.10 異性体 SMILES: CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl

2. 性質

2.1 沸点: bp0.1 164-169°

2.2 可溶性: 245ug/L(25 ºC)

2.3 Storage: 0-6°C

3. 安全文

3.1 ハザードコード: Xn、N

3.2 Rフレーズ: 22-50/53

3.3 Sフレーズ: 60-61

3.4 RIDADR: 2783

3.5 RTECS: TF0350000

3.6 安全と危険

ハザードコード	Xn、N
Rフレーズ	22-50/53
Sフレーズ	60-61
RIDADR	2783
RTECS	TF0350000
ストレージクラス	6.1（b）
パッキンググループ	3
毒性	雄、雌ラットのLD50（mg / kg）：185、172経口; 576、355皮膚（ゲインズ、リンダー）

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4. MSDS情報

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H400 Very toxic to aquatic life H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P273 Avoid release to the environment.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. 合成路線

97-17-6Total: 3 合成路線

38176-72-6

97-17-6 27 しいれ業者

2524-04-1

120-83-2 160 しいれ業者

97-17-6 27 しいれ業者

6. 前駆体と製品

上位製品:

120-83-2

38176-72-6

3757-76-4

下流製品:

3279-62-7

7. 計算化学データ

Molecular Weight：315.153181g/mol
Molecular Formula：C₁₀H₁₃Cl₂O₃PS
Compound Is Canonicalized：True
XLogP3-AA：313.9700078
Monoisotopic Mass：313.9700078
Complexity：270
Rotatable Bond Count：6
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：59.8
Heavy Atom Count：：17
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMAJGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAACAACAagkCIyBoAAARCAACBCAAACAAAgJUAIiAAGC4gIJiKBExKAMAAkwBEIiAeAQAAAACAAAACACAAAQAAAAQAQAAAAAAAAAA==