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チオりん酸O,O-ジエチルO-カリウム

o,o-diethyl thiophosphate potassium salt

HCID 23664334
ノート反応
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基本情報

CAS
5871-17-0
標準SMILES
CCOP([O-])(=S)OCC.[K+]
InChIKey
OVJCAYMARFNMQB-UHFFFAOYSA-M
分子式
C4H10KO3PS
平均分子量
208.26 g/mol
単同位体質量
207.97253349

概要

O,O-Diethyl thiophosphate (potassium salt) is an organic thiophosphate.

名称と識別子

優先名称
o,o-diethyl thiophosphate potassium salt
IUPAC
potassium diethoxy-oxido-sulfanylidene-λ5-phosphane
現地名
チオりん酸O,O-ジエチルO-カリウム
英語名
O,O-Diethyl thiophosphate, potassium salt
分子式
C4H10KO3PS
分子量
208.26

名称と別名

O,O-Diethyl thiophosphate potassium saltPotassium O,O-diethylthiophosphateRefChem:855035627-567-25871-17-0potassium O,O-diethyl phosphorothioatePotassium diethyl thiophosphateMFCD00674011Phosphorothioic acid, O,O-diethyl ester, potassium saltVT22HR1IATpotassium;diethoxy-oxido-sulfanylidene-lambda5-phosphaneO,O-Diethyl thiophosphate
名称をさらに表示
チオりん酸O,O-ジエチルO-カリウムジエトキシ(ポタシオオキシ)ホスフィンスルフィドチオりん酸O,O-ジエチルカリウム塩ジエチルチオリン酸O,O-ジエチル O-カリウム ホスホロチオアートdiethylthiophosphatediethylthiodiethylthiophosphoric acidPOTASSIUM DIETHYL THIOPHOSPHATE)"O,O-Diethyl hydrogen thiophosphate"Potassium di-O-ethyl phosphorothioateO,O-Diethyl thiophosphate (potassium)
Phosphorothioic acid, O,O-diethyl ester, potassium salt (1:1)UNII-VT22HR1IATbmse000653C4H10KO3PSpotassium diethylthiophosphateO,O-DIETHYL PHOSPHOROTHIOATE POTASSIUM SALTSCHEMBL844972SCHEMBL844973

データベース識別子

CAS
5871-17-0
PubChem CID
23664334
DTXSID
DTXSID4052718
ChEBI
CHEBI:195172
UNII
VT22HR1IAT
EC Number
627-567-2

物性

構造計算による物性

極性表面積
73.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
4
重原子数
10
形式電荷
0
複雑度
111

物理化学的性質

融点
180 · 180-186 °C(lit.)
闪点
9 ℃ · 9℃
貯蔵温度
-20 °C · -20°C
溶解性
Methanol (Slightly), Water (Slightly)
外見
Solid
色
White to Off-White
安定性
Hygroscopic
InChI
1S/C4H11O3PS.K/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);/q;+1/p-1
InChIKey
OVJCAYMARFNMQB-UHFFFAOYSA-M
SMILES
[K+].CCOP([O-])(=S)OCC

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationHazard Traits - Developmental Toxicity; Neurotoxicity
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Toxicity Summary · 1 件

Diethylthiophosphate (DETP) induces DNA damage only in the hepatic cell lines, and this effect could be related to a secondary non-diffusible metabolite generated by the activity of P450 enzymes since P450 enzyme inhibitors also inhibited the induction of DNA damage in hepatic cells. This organophosphorous (OP) metabolite has shown some toxicity in human peripheral blood mononucleated cells (PBMC). DETP is a cytotoxic compound in human PBMC. A relationship between urinary levels of DETP and the number of sperm susceptible to chromatin alteration has been reported among rural agricultural workers. In addition, a correlation between the frequency of aneuploidy in sperm and the levels of DETP in urine was identified in a rural population exposed to OP pesticides, indicating that the potential for genotoxicity following OP exposure may depend on the type and quantity of specific metabolites produced, such as DETP. (A15411)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

wgk
3
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
risk_code
36/37/38-39/23/24/25-23/24/25-11
hazard_code
Xi,T,F
safety_code
26-36-45-36/37-16-7
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Metabolism of organophosphates occurs principally by oxidation, by hydrolysis via esterases and by reaction with glutathione. Demethylation and glucuronidation may also occur. Oxidation of organophosphorus pesticides may result in moderately toxic products. In general, phosphorothioates are not directly toxic but require oxidative metabolism to the proximal toxin. The glutathione transferase reactions produce products that are, in most cases, of low toxicity. Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of organophosphate exposure.

用途と製造

UsesThis is a natural compound that is used as a pesticide.

サプライヤー41 社

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Aladdin Scientific[email protected]
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上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]

関連反応

5 件
反応記録を作成
HRID 1080617 の反応式
HRID 1080617生成物としてuspto-grants-1996_12
HRID 1734979 の反応式
HRID 1734979生成物としてuspto-grants-1996_07
HRID 1734984 の反応式
HRID 1734984生成物としてuspto-grants-1996_07
HRID 1734989 の反応式
HRID 1734989生成物としてuspto-grants-1996_07
HRID 2210756 の反応式
HRID 2210756生成物としてuspto-grants-1995_10

化合物ノート

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