基本情報
- CAS
107-56-2- 標準SMILES
CC(C)OP(=S)(S)OC(C)C- InChIKey
SZXCCXFNQHQRGF-UHFFFAOYSA-N- 分子式
- C6H15O2PS2
- 平均分子量
- 214.3 g/mol
- 単同位体質量
- 214.02510906
概要
structure given in first source
名称と識別子
- 優先名称
- O,O-Bis(1-methylethyl) phosphorodithioate
- IUPAC
- di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
- 現地名
- ホスホロジチオ酸O,O-ビス(1-メチルエチル)
- 英語名
- O,O-diisopropyl hydrogen dithiophosphate
- 分子式
- C6H15O2PS2
- 分子量
- 214.29
名称と別名
O,O-DIISOPROPYL DITHIOPHOSPHATE107-56-2Diisopropyl phosphorodithioateAerofloat 211O,O-Diisopropyl hydrogen phosphorodithioateO,O-Diisopropyl phosphorodithioateO,O-Diisopropylphosphorodithioic acidO,O-Diisopropyl dithiophosphoric acidO,O-Diisopropyl hydrogen phophorothioateO,O-Bis(1-methylethyl) phosphorodithioatePhosphorodithioic acid, O,O-bis(1-methylethyl) esterY276QJZ4VK
名称をさらに表示
ホスホロジチオ酸O,O-ジイソプロピルジチオりん酸O,O-ビスイソプロピルジチオりん酸ジイソプロピルホスホロジチオ酸O,O-ビス(1-メチルエチル)ジチオりん酸O,O-ジイソプロピルジチオりん酸ジ(1-メチルエチル)ジイソプロピルジチオりん酸NSC15258Bensulide Impurity 3isopropyl phosphorodithioateDithiophosphoric acid diisopropyl esterPhosphorodithioic acid O,O-diisopropyl ester
Phosphorodithioic acid, O,O-diisopropyl esterCP 41348NSC-15258J182.222ERefChem:167052203-503-5Isopropyl aerofloatO,O-Diisopropyl hydrogen dithiophosphate
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 51.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 145
実験および物理化学的性質
Chemical ClassesOther Classes -> Organophosphates, Other
物理化学的性質
- 融点
- 193 °C · 193 °C
- 沸点
- 96 · 96-97 °C(Press: 7 Torr)
- 比重(密度)
- 1.0921 g/cm3 · 1.0921 g/cm3
- 貯蔵温度
- Refrigerator
- 溶解性
- クロロホルム;ジクロロメタン;酢酸エチル
- 外見
- 油
- 酸解離定数(Pka)
- -0.1 · -0.10±0.38(Predicted)
- 色
- 無色
- EPAの化学物質情報
- Phosphorodithioic acid, O,O-bis(1-methylethyl) ester (107-56-2)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 108 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Phosphorodithioic acid, O,O-bis(1-methylethyl) ester
REACH registered substance: O,O-diisopropyl hydrogen dithiophosphate (EC: 203-503-5)
Hazards SummaryCaused necrosis to mouse tails when immersed; Transient irritation in rabbit eyes; Emergency treatment: Acids; [HSDB] Causes somnolence, muscle weakness, and changes in respiration in lethal-dose feeding studies of mice; [RTECS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity ExcerptsACUTE ORAL LD50 OF ISOPROPYL AEROFLOAT FOR RATS WAS 1817 MG/KG. IMMERSION OF MOUSE TAILS IN ISOPROPYL AEROFLOAT CAUSED NECROSIS. COMPD ALSO CAUSED TRANSIENT IRRITATION OF RABBIT EYES.
安全データ
- tsca
- TSCA listed
- 有毒物質データの
- 107-56-2(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as mining flotation reagents (promotes frothing); [HSDB]
Metal Extraction and Refining [Category: Industry]
Formulations/Preparations"AEROFLOAT" TRADEMARK FOR ARYL DITHIOPHOSPHORIC ACIDS (LIQ) & ALKYL DITHIOPHOSPHORIC ACID SALTS (SOLIDS) USED AS MINING FLOTATION REAGENTS TO PROMOTE FROTHING PROPERTIES. /AEROFLOAT/
General Manufacturing InformationPhosphorodithioic acid, O,O-bis(1-methylethyl) ester: ACTIVE
応用分野
使用O,O-Diisopropyl Dithiophosphate is an intermediate in the synthesis of Bensulide (B166000), which is an organophosphate acetylcholinesterase inhibitor used as an herbicide (1) in the protection of crops through pesticides (2). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.
サプライヤー3 社
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関連反応
2 件
化合物ノート
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