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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 53
実験および物理化学的性質
Chemical Classes
Toxic Gases & Vapors -> Other Toxic Gases & Vapors
Corrosives
Odor
PUNGENT
Penetrating
Density
1.635
Relative density (water = 1): 1.6
1.635 @25 °C
Color/Form
Colorless liquid
CRYSTALLIZES AS ALPHA-FORM @ -40.8 °C OR AS BETA-FORM @ -36.2 °C
Solubility
SOL IN BENZENE, CARBON TETRACHLORIDE, CARBON DISULFIDE, CHLOROFORM
Solubility in water: reaction
Boiling Point
125 °C @ 760 MM HG
125 °C
125 °C @760 [mm Hg]
Decomposition
Decomposed by water producing hydrochloric and phosphoric acids ... and hydrogen sulfide ... .
Dangerous; when heated to decomp ... emits highly toxic fumes of /phosphorus oxides, sulfur oxides and hydrogen chloride/.
Melting Point
-35 °C
-35 °C
Vapor Density
5.86 (AIR= 1)
Relative vapor density (air = 1): 5.8
Vapor Pressure
16.35 [mmHg]
vapor pressure = 16.35 mm Hg at 25 °C/ calculated from experimentally derived coefficients/
Vapor pressure, kPa at 25 °C: 2.9
Refractive Index
INDEX OF REFRACTION: 1.635 @ 25 °C/D
INDEX OF REFRACTION: 1.563 (COLD)
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.)
- 外見
- 液体
- 色
- 無色
- 比重
- 1.668 · 1.668
- 水溶解度
- 2 O · H2O と反応して H3PO4、HCl、H2S を生成する;アルカリ溶液中で急速に加水分解する;ベンゼン、CCl4、CS2、クロロホルムに溶解する [MER06]
- Merck
- 14 · 14,7356
- Dielectric constant
- 2.5 · 2.5(25℃)
- 安定性
- Moisture Sensitive
- CAS データベース
- 3982 · 3982-91-0(CAS DataBase Reference)
- EPAの化学物質情報
- Phosphorothioic trichloride (3982-91-0)
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
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
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.)
Fire Hazards
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
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
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]
Reactivity Profile
THIOPHOSPHORYL CHLORIDE is acidic. Incompatible with bases (including amines), with strong oxidizing agents, and with alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
安全と保護具
Fire Fighting
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
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
· 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
Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
General First Aid:
Fire Fighting Procedures
If material /is/ involved in /a/ fire extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible.
Spillage Disposal
Evacuate danger area! Consult an expert! Personal protection: chemical protection suit including self-contained breathing apparatus. Ventilation. Do NOT let this chemical enter the environment. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. NEVER direct water jet on liquid.
Preventive Measures
If material /is/ not involved in /a/ fire keep material out of water sources and sewers. Build dikes to contain flow as necessary. Use water spray to knock- down vapors. Do not use water on material itself. Neutralize spilled material with crushed limestone, soda ash, or lime.
Avoid breathing vapors. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Isolation and Evacuation
Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
Immediate precautionary measure
毒性情報
Environmental Fate
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)
Signs and Symptoms
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.
Volatilization from Water/Soil
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).
Environmental Abiotic Degradation
Thiophosphoryl chloride is a fuming liquid that hydrolyzes slowly in water and rapidly in base to form orthophosphoric acid, hydrochloric acid and hydrogen sulfide(1). No rates of hydrolysis were located. In the atmosphere thiophosphoryl chloride will react with photochemically produced hydroxyl radicals at a estimated rate of 5.5X10-11 cu cm/molecule sec(2). Assuming a hydroxyl radical concn of 5X10+5/cu cm, the half life of thiophosphoryl chloride would be 0.3 days(SRC).
Probable Routes of Human Exposure
The probable route of exposure to thiophosphoryl chloride is by inhalation. (SRC)
NIOSH (NOES Survey 1981-1983) has statistically estimated that 1944 workers are exposed to thiophosphoryl chloride in the USA(1).
Occupational exposure involves acetyl cellulose makers, bronze alloy makers, munitions workers, smoke bomb and incendiary makers, pesticide rat poison worker, fertilizer makers, electroluminescent-coating makers, and semiconductor workers. /Phosphorus/
Environmental Fate/Exposure Summary
Thiophosphoryl chloride may be released to the environment during its manufacture and use. It is a volatile chemical and would therefore tend to volatilize from water and soil and partition in the atmosphere. Its atmospheric half-life is estimated to be 0.3 days as a result of its reaction with photochemically produced hydroxyl radicals. Although no rate data are available, it is expected to hydrolyze slowly in water and moist soil. The rate of hydrolysis will increase with increasing pH. Exposure would be occupational. (SRC)
安全データ
- F
- 21
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XN2930000
- ridadr
- UN 1837
- hs_code
- 28273985
- risk_code
- 22-26-34-52/53
- 化審法
- (1)-251
- hazard_code
- T+
- safety_code
- 26-28-36/37/39-45-61
- hazard_class
- 8
- packing_group
- II
- 有毒物質データの
- 3982-91-0(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used to make insecticides (e.g., parathion); [HSDB]
Phosphorus sulfochloride is primarly used in the manufacture of insecticides eg, parathion.
General Manufacturing Information
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
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
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.
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