基本情報
- 標準SMILES
COP(=S)(Cl)OC- InChIKey
XFBJRFNXPUCPKU-UHFFFAOYSA-N- 分子式
- C2H6ClO2PS
- 平均分子量
- 160.56 g/mol
- 単同位体質量
- 159.95146474
概要
Dimethyl chlorothiophosphate is a colorless to light amber liquid. Used as a chemical intermediate for insecticides, pesticides, and fungicides; oil and gasoline additives; plasticizers; corrosion inhibitors; flame retardants; and flotation agents. Not registered as a pesticide in the U.S. (EPA, 1998)
名称と識別子
- 優先名称
- Dimethyl phosphorochloridothionate
- IUPAC
- chloro-dimethoxy-sulfanylidene-λ5-phosphane
- 現地名
- クロロチオりん酸ジメチル
- 英語名
- Dimethyl chlorothiophosphate
- 分子式
- C2H6ClO2PS
- 分子量
- 160.56
名称と別名
Dimethyl phosphorochloridothionateDimethylthionochlorophosphateRefChem:134231Dimethyl chlorothiophosphate2524-03-0Methyl PCTO,O-Dimethyl phosphorochloridothioateO,O-Dimethyl chlorothiophosphatePhosphorochloridothioic acid, O,O-dimethyl esterChlorodimethoxyphosphine sulfideDimethylchlorthiofosfatDimethyl chlorothionophosphate
名称をさらに表示
クロロチオりん酸ジメチルホスホロクロリドチオ酸O,O-ジメチルクロリドチオりん酸O,O-ジメチルクロロホスホノチオ酸ジメチルO,O-ジメチルチオホスホリルクロリドジアルキルチオリン酸クロライドジメチルチオリン酸クロライドホスホロクロリドチオ酸メチルクロロチオホスホン酸＝O，O-ジメチルクロロチオホスホン酸=O,O‐ジメチルMCTO,O-DIMETHYLPHOSPHOROCHLOROTHIOATEDMPCTNA 2267U.N. 2267(CH3O)2P(S)ClAURORA KA-1651
Dimethyl chlorothiophosphonateDimethyl phosphorochlorothioateDimethoxythiophosphonyl chlorideDimethyl thiophosphorochloridateDimethyl thionophosphorochloridateO,O-Dimethyl chlorothionophosphateO,O-Dimethyl phosphorochlorothioateO,O-Dimethyl thiophosphoryl chloride
データベース識別子
- CAS
2524-03-0- PubChem CID
- 17304
- DTXSID
DTXSID0027486- ChEMBL
CHEMBL1870942- UNII
- 8D5OSC5UN4
- EC Number
- 219-754-9
- Nikkaji
- J113.023D
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 50.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 87.7
実験および物理化学的性質
SpringerMaterials PropertiesSchoenflies notation
Density1.32 at 77 °F (EPA, 1998) - Denser than water; will sink
Boiling Point151 to 153 °F at 16 mmHg (EPA, 1998)
Physical Description
Dimethyl chlorothiophosphate is a colorless to light amber liquid. Used as a chemical intermediate for insecticides, pesticides, and fungicides; oil and gasoline additives; plasticizers; corrosion inhibitors; flame retardants; and flotation agents. Not registered as a pesticide in the U.S. (EPA, 1998)
物理化学的性質
- 沸点
- 66 · 66-67 °C16 mm Hg(lit.)
- 比重(密度)
- 1.322 g/mL · 1.322 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.67 psi · 0.67 psi ( 20 °C)
- 屈折率
- 20 · n20/D 1.482(lit.)
- 闪点
- 221 °F · 221 °F
- 溶解性
- Chloroform (Sparingly), Methanol (Slightly)
- 外見
- Oil
- 色
- Colourless
- 水溶解度
- ゆっくり加水分解する
- 安定性
- Moisture Sensitive
- CAS データベース
- 2524 · 2524-03-0(CAS DataBase Reference)
- NISTの化学物質情報
- Phosphorochloridothioic acid, o,o-dimethyl ester(2524-03-0)
- EPAの化学物質情報
- Dimethyl chlorothiophosphate (2524-03-0)
化学的性質
化学的特性clear colorless to light yellow liquid
安全と法規制
GHS分類
GHS Classification
Danger
H301 (39.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 97 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: Phosphorochloridothioic acid, O,O-dimethyl ester
Status: Active Update: 10-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/5177
Phosphorochloridothioic acid, O,O-dimethyl ester: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelPoison Corrosive
Fire Hazards
This material may burn but does not ignite readily. This material may ignite combustibles (wood, paper, oil, etc.). When heated it emits very toxic fumes of chlorine containing compounds, phosphorus oxides, and sulfur oxides. (EPA, 1998)
· Combustible material: may burn but does not ignite readily.
Health Hazards
This material is a strong irritant to the eyes, skin, and mucous membranes. (EPA, 1998)
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
DOT ID and Guide2267 156
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
Organothiophosphates, such as DIMETHYL CHLOROTHIOPHOSPHATE, are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
DOT Hazard Classification
Dimethyl thiophosphoryl chloride
UN2267
Div 6.1 Poisonous materials (49 eCFR § 173.132)
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Acute Tox. 3 (39.2%)
Acute toxicity (Oral) - Category 4
安全と保護具
Fire FightingWear positive pressure breathing apparatus and special protective clothing. Move container from fire area if you can do so without risk. Cool containers that are exposed to flames with water from the side until well after fire is out.
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Warning: Methyl PCT is extremely corrosive. Caution is advised.
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseCaution : Avoid sources of heat including fire. Dimethyl phosphorochloridothioate will liberate toxic phosphorus and sulfur oxides when heated to decomposition.
Isolation and Evacuation
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)
For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)
Emergency Response Planning Guidelines· Note: Most foams will react with the material and release corrosive/toxic gases.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TD1830000
- ridadr
- UN 2267
- 毒性
- mouse,LC50,inhalation,320mg/m3/2H (320mg/m3),"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 56, 1982.
- hs_code
- 29309099
- risk_code
- 23/24/25-34-23-21/22
- 消防法
- 危-4-3-III
- hazard_code
- T
- safety_code
- 23-26-36/37/39-45-24/25
- hazard_class
- 6.1
- packing_group
- II
- 有毒物質データの
- 2524-03-0(Hazardous Substances Data)
化学と産業
用途と製造
General Manufacturing InformationPhosphorochloridothioic acid, O,O-dimethyl ester: ACTIVE
応用分野
用途農薬、殺虫剤、防カビ剤の合成原料、ガソリン添加剤、可塑剤、防錆剤、防炎剤
使用Dimethyl chlorothiophosphate is used as an intermediate in the manufacture of insecticides, pesticides, fungicides, oil and gasoline additives, plasticizers, corrosion inhibitors, flame-retardants, and flotation agents.
一般的な説明Dimethyl chlorothiophosphate is a colorless to light amber liquid. Used as a chemical intermediate for insecticides, pesticides, and fungicides; oil and gasoline additives; plasticizers; corrosion inhibitors; flame retardants; and flotation agents. Not registered as a pesticide in the U.S. (EPA, 1998)
調製方法
製造方法Dimethyl chlorothiophosphate is prepared by reaction of phosphorus pentasulfide & methyl alcohol followed by reaction of the resulting dimethyl phosphorodithioate with chlorine.
上流・下流製品情報
上流原料
下流製品
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