基本情報
- CAS
7727-18-6- 標準SMILES
Cl.Cl.Cl.[O]=[V]- InChIKey
JNKMSLLEOBTKQY-UHFFFAOYSA-N- 分子式
- Cl3H3OV
- 平均分子量
- 176.32 g/mol
概要
Vanadium oxytrichloride is a vanadium coordination entity. It has a role as a NMR chemical shift reference compound, a catalyst and an oxidising agent.
名称と識別子
- 優先名称
- Vanadium trichloride oxide
- IUPAC
- oxovanadium;trihydrochloride
- 現地名
- トリクロロオキソバナジウム(V)
- 英語名
- Vanadium(V) trichloride oxide
- 分子式
- Cl3OV
- 分子量
- 173.3
名称と別名
Vanadium trichloride oxideRefChem:901659VANADIUM OXYTRICHLORIDE7727-18-6Vanadyl trichlorideVanadium(V) oxytrichlorideTrichlorooxovanadiumTrichlorooxovanadium oxideVanadium, trichlorooxo-, (T-4)-Vanadium oxide trichlorideTrichlorooxo vanadiumVanadium monoxide trichloride
名称をさらに表示
オキシ塩化バナジウム(V)バナジウム(V)オキシクロリド塩化バナジルトリクロロオキソバナジウム(V)オキシ塩化バナジウムバナジウム(V)オキシドトリクロリドトリクロロバナジウム(V)オキシドバナジルクロリドバナジウム(V)トリクロリドオキシドバナジウムオキシトリクロリドオキシ塩化バナシウムオキシ三塩化バナジウム三塩化バナジルオキシ三塩化バナジウム(V)塩化バナジル(V)酸化三塩化バナジウム(V), min. 99%Vanadium oxychlorideVANADYL CHLORIDEvanadylic chlorideVANADYL(V) CHLORIDEVanadyl(IV) chloridetrichlorooxo-vanadiuVanadium,trichlorooxo-
Vanadium trichloride monoxideVanadium trichloride monooxideVanadium(V) trichloride oxideVanadium, trichlorooxo-Vanadyl chloride (VOCl3)VOCl3HSDB 1023Vanadium chloride oxide (VOCl3)
物性
構造計算による物性
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 3
- 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
- 6.9
物理化学的性質
- 融点
- 76.5 °C · −76.5 °C (−105.7 °F; 196.7 K)
- 沸点
- 126.7 °C · 126.7 °C (260.1 °F; 399.8 K)
- 比重(密度)
- 1.826 g · 1.826 g mL−1
- 蒸気圧
- 13.8 mm · 13.8 mm Hg ( 20 °C)
- 屈折率
- 1.63 · 1.6300
- 闪点
- Not applicable
- 溶解性
- ベンゼン、ジクロロメタン、ヘキサンと混和します。
- 外見
- liquid
- 色
- yellow
- 比重
- 1.84 · 1.84
- 水溶解度
- 2 O · H2O 中でバナジン酸と HCl に分解; メタノール、エーテル、アセトン、酸に溶解 [KIR83][MER06]
- 比熱容量
- 0.52 J/ · Cp(gas): 0.52 J/(g·K), at 25℃
- Merck
- 14 · 14,9927
- Dielectric constant
- 3.6 · 3.6(26℃)
- InChI
- 1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3
- InChIKey
- JBIQAPKSNFTACH-UHFFFAOYSA-K
- SMILES
- Cl[V](Cl)(Cl)=O
- LogP
- 0 at · 0 at 20℃
- CAS データベース
- 7727 · 7727-18-6(CAS DataBase Reference)
- EPAの化学物質情報
- Vanadium, trichlorooxo-, (T-4)- (7727-18-6)
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
This chemical does not meet GHS hazard criteria for 4.7% (5 of 107) of reports.
Danger
H301 (92.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 107 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory InformationStatus: Active Update: 21-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12388
Hazard Classes and Categories
Acute Tox. 3 (92.5%)
Acute toxicity (Oral) - Category 2
Acute toxicity (Oral) - Category 3
安全と保護具
Minimum Risk LevelAcute Inhalation: 0.0002 mg/m3 (L134)
Intermediate Oral: 0.003 mg/kg/day (L134)
毒性情報
Treatment
EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
化学と産業
薬理情報
Metabolism/Metabolites
Vanadium is absorbed mainly via inhalation, though small amounts can be absorbed through the skin and gastrointestional tract. It is rapidly distributed in the plasma, mainly to the kidney, liver, lungs, heart, bone, where it tends to accumulate. With the help of cytochrome P-450 enzymes, it can interconvert between its two oxidation states, vanadyl (V+4) and vanadate (V+5). Both states of vanadium can reversibly bind to transferrin protein in the blood and then be taken up into erythrocytes. Vanadium is excreted mainly in the urine. (L837)
用途と製造
UsesVanadium oxytrichloride is used as a reagent in organic synthesis. (L841)
応用分野
用途オレフィン重合触媒、(エチレンプロピレンゴム); 有機バナジウム化合物合成
使用Vanadium(V) trichloride oxide is used as a catalyst in olefin polymerization reaction, especially for the production of ethylene-propylene rubber. It is also used to synthesis organovanadium compounds and as a mordant in dyeing. It acts as a precursor to prepare vanadium pentoxide, vanadyl dichloride and dioxovanadium monochloride. Further, it serves as a reagent and a strong oxidizing agent in organic synthesis.
調製方法
純化方法VOCl3 should be lemon yellow in colour. If it is red, it may contain VCl4 and Cl2. Fractionally distil it, and then redistil it over metallic Na, but be careful to leave some residue because the residue can become EXPLOSIVE in the presence of the metal. USE A SAFETY SHIELD and avoid contact with moisture. It readily hydrolyses to vanadic acid and HCl. Store it in a tightly closed container or in sealed ampoules under N2. [Brown & Griffitts Inorg Synth I 106 1939, Brown & Griffitts Inorg Synth IV 80 1953.]
上流・下流製品情報
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