チオホスホリルクロリド

Thiophosphoryl chloride

HCID 19883

基本情報

CAS
3982-91-0
標準SMILES
S=P(Cl)(Cl)Cl
InChIKey
WQYSXVGEZYESBR-UHFFFAOYSA-N
分子式
Cl3PS
平均分子量
169.4 g/mol
単同位体質量
167.85239067

概要

Thiophosphoryl chloride appears as a colorless fuming liquid. Boiling point 257 °F (125 °C). Irritates the eyes and mucous membranes. Corrosive to metals and tissue.

名称と識別子

優先名称
Thiophosphoryl chloride
IUPAC
trichloro(sulfanylidene)-λ5-phosphane
現地名
チオホスホリルクロリド
英語名
Thiophosphoryl chloride
分子式
Cl3PS
分子量
169.4

名称と別名

THIOPHOSPHORYL CHLORIDE3982-91-0Phosphorus thiochloridePhosphorus sulfochloridePhosphorothioic trichlorideThiophosphoryl trichloridePhosphorothionic trichloridePhosphorous thiochloridePhosphorous sulfochlorideThiophosphoric trichlorideTrichlorophosphine sulfideFosforthiochlorid
名称をさらに表示
チオホスホリルクロリドトリクロロホスフィンスルフィドチオ塩化りんチオホスホリルトリクロリド塩化チオホスホリルりんトリクロリドスルフィドホスホロチオイル トリクロリドチオりん酸トリクロリドPhosphorothioyl trichloridethiophosphoryltl262NSC 158334AURORA KA-1089Thiophosphoryl chlorthiochloridfosforecnyThiophosphorylchlorid
Phosphorus trichloride sulfideThiophosphoryl chloride (PSCl3)Phosphorus chloride sulfideThiochlorid fosforecnyTL 262UN1837Phosphorous trichloride sulfideSulfidotrichlorid fosforecny

データベース識別子

CAS
3982-91-0
PubChem CID
19883
DTXSID
DTXSID3063253
UNII
II99F8594N
EC Number
223-622-6
Nikkaji
J96.077B

物性

構造計算による物性

XLogP
3.5
極性表面積
32.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
0
重原子数
5

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Other Toxic Gases & Vapors

Corrosives

SpringerMaterials PropertiesSchoenflies notation
Odor · 2 件

PUNGENT

Penetrating

Density · 3 件

1.635

Relative density (water = 1): 1.6

1.635 @25 °C

Color/Form · 2 件

Colorless liquid

CRYSTALLIZES AS ALPHA-FORM @ -40.8 °C OR AS BETA-FORM @ -36.2 °C

Solubility · 2 件

SOL IN BENZENE, CARBON TETRACHLORIDE, CARBON DISULFIDE, CHLOROFORM

Solubility in water: reaction

物理化学的性質

融点
-35 °C · -35 °C (lit.)
沸点
125 °C · 125 °C (lit.)
比重(密度)
1.668 g/mL · 1.668 g/mL at 25 °C (lit.)
蒸気圧
21.9 hPa · 21.9hPa at 25℃
屈折率
20 · n20/D 1.555(lit.)
溶解性
ベンゼン: 可溶(lit.)

化学的性質

化学的特性clear colourless to slightly yellowish liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Thiophosphoryl chloride

Phosphorothioic trichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphorothioic trichloride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6323

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Thiophosphoryl chloride: Human health tier I assessment
DOT LabelCorrosive
Fire Hazards · 3 件

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

Not combustible but forms flammable gas on contact with water or damp air. Risk of fire and explosion on contact with water or moisture.

Health Hazards · 2 件

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Hazards Summary · 1 件

Hydrolyzed by water forming orthophosphoric acid, hydrochloric acid, and hydrogen sulfide; A strong irritant; [Merck Index] Decomposed by heating and water or humidity forming toxic and corrosive vapors (including phosphoric acid, hydrogen chloride, and hydrogen sulfide) posing fire and explosion hazard; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause pulmonary edema; [ICSC] An eye and mucous membrane irritant; [HSDB] Decomposed by water producing phosphoric acid and hydrochloric acid; May also form hydrogen sulfide on reaction with water; Fumes in air; An eye and mucous membrane irritant; Corrosive to tissue; [CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; Can be absorbed through skin; [MSDSonline]

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

Use powder, carbon dioxide. NO water. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water. Combat fire from a sheltered position.

First Aid Measures · 4 件

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

Accidental Release Measures · 2 件

· 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 · 2 件

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

General First Aid:

Safe StorageFireproof. Provision to contain effluent from fire extinguishing. Cool. Dry.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

毒性情報

Environmental Fate · 3 件

TERRESTRIAL FATE: If released on land thiophosphoryl chloride will be lost by volatilization and hydrolysis. No estimates of half-lives of these processes are available. (SRC)

AQUATIC FATE: If released in water, thiophosphoryl chloride will be lost by hydrolysis; the rate of hydrolysis is unknown. It may also be lost by volatilization; however, lack of physical chemical constants does not permit an estimation of the rate of volatilization. (SRC)

ATMOSPHERIC FATE: Because of its high vapor pressure, thiophosphoryl chloride may accumulate in the atmosphere. Its rate of reaction with atmospheric constituents is unknown. (SRC)

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation.
Signs and Symptoms · 4 件

Burning sensation. Cough. Headache. Laboured breathing. Shortness of breath. Sore throat. Unconsciousness. Vomiting. Wheezing. Symptoms may be delayed.

Redness. Skin burns. Pain. Blisters.

Redness. Pain. Loss of vision. Severe deep burns.

Abdominal pain. Burning sensation. Nausea. Shock or collapse. Further see Inhalation.

ICSC Environmental DataThis substance may be hazardous to the environment. Special attention should be given to water quality.
Volatilization from Water/Soil · 1 件

Thiophosphoryl chloride has a relatively high vapor pressure, 16.35 mm Hg at 25 °C(1) and it should volatilize rapidly from soil. No experimental Henry's Law constant is available and the value cannot be estimated from structural considerations because of lack of structural fragments nor calculated from the vapor pressure and water solubility because of the lack of an experimental water solubility(SRC).

安全データ

F
21
wgk
2
tsca
TSCA listed
rtecs
XN2930000
ridadr
UN 1837
hs_code
28273985

化学と産業

用途と製造

Uses · 2 件

Used to make insecticides (e.g., parathion); [HSDB]

Phosphorus sulfochloride is primarly used in the manufacture of insecticides eg, parathion.

U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesIntermediate
Industry UsesIntermediate
Methods of ManufacturingPREPARED FROM PHOSPHORUS PENTASULFIDE & PHOSPHORIC CHLORIDE. ALTERNATE PROCEDURE FROM PHOSPHORUS TRICHLORIDE, ALUMINUM CHLORIDE, AND SULFUR.
General Manufacturing Information · 3 件

Agriculture, Forestry, Fishing and Hunting

Phosphorothioic trichloride: ACTIVE

DURING THE PREPN FROM PHOSPHORUS TRICHLORIDE AND SULFUR, THE QUANTITY AND QUALITY OF THE ALUMINUM CHLORIDE CATALYST IS CRITICAL TO PREVENT THE EXOTHERMIC REACTION GOING OUT OF CONTROL.

応用分野 · 3 件

解説チオホスホリルクロリド,室温では無色の発煙性の液体.分子はP中心の四面体型構造で,P-S1.88 Å,P-Cl2.01 Å.∠Cl-P-Cl101.8°.固体にはα,βの2形があり,各融点はα形-40.8 ℃.β形-36.2 ℃.沸点125 ℃.密度1.63 g cm-3.CCl4,CS2,CHCl3などに可溶.水では徐々に加水分解して,H2S,リン酸,塩酸を生じる.NaOH水溶液では分解が速く,モノチオリン酸ナトリウムNa3PO3Sになる.有毒.森北出版「化学辞典(第2版)

使用Thiophosphoryl chloride was used in the synthesis of O-ethyl dichlorothiophosphate.

一般的な説明A colorless fuming liquid. Boiling point 257°F (125 °C). Irritates the eyes and mucous membranes. Corrosive to metals and tissue.

調製方法 · 1 件

純化方法Possible impurities are PCl5, H3PO4, HCl and AlCl3. Gently mix it with H2O to avoid a heavy emulsion; the product decoulorises immediately and settles to the bottom layer. It is soluble in *C6H6 and CCl4. [Duval Inorg Synth IV 73 1953.] HARMFUL VAPOURS.

上流・下流製品情報

下流製品

クロロチオりん酸ジメチルPhosphorus-containing intermediates of asymmetric organophosphorus pesticidesホキシム2-[(アミノメトキシホスフィノチオイル)オキシ]安息香酸イソプロピルチオりん酸O-(1,6-ジヒドロ-6-オキソ-1-フェニルピリダジン-3-イル)O,O-ジエチルエチルジチオホスホン酸O-エチルS-フェニル(2-オキソ-3-チアゾリジニル)チオホスホン酸O-エチルS-sec-ブチル(O,O-di-4-chlorophenyl)thiophosphenyl chlorideチオりん酸ジメチル=4-ニトロフェニルアミドチオりん酸O,S-ジメチル(RS)-[O-1-(4-クロロフェニル)ピラゾール-4-イルO-エチルS-プロピルホスホロチオアート]ホスホロジクロリドジチオ酸プロピル

関連反応

42 件

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