ジホスホリルクロリド

Diphosphoryl tetrachloride

HCID 4432411

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 13498-14-1
標準SMILES: O=P(Cl)(Cl)OP(=O)(Cl)Cl
InChIKey: CNTIXUGILVWVHR-UHFFFAOYSA-N
分子式: Cl4O3P2
平均分子量: 251.8 g/mol
単同位体質量: 249.80767784

名称と識別子

優先名称: Diphosphoryl tetrachloride
IUPAC: Diphosphoric tetrachloride
現地名: ジホスホリルクロリド
英語名: Diphosphoryl chloride
分子式: Cl4O3P2
分子量: 251.76

名称と別名

Diphosphoryl chloride13498-14-1Diphosphoryl tetrachlorideEINECS 236-824-4DTXSID10159179RefChem:588993DTXCID6081670236-824-4Pyrophosphoryl chlorideDiphosphoryl Chloride 90%MFCD00061542Diphosphoryl Chloride 90per cent

名称をさらに表示

ジホスホリルクロリドテトラクロリド二りん酸ジクロロホスフィノイルオキシジクロロホスフィンオキシドテトラクロロピロホスフェ-トピロホスホリルクロリドホスホロジクロリド酸無水物Pyrophosphoryl tetrachlorideDiphosphoryl chloridbis(phosphanone) chlorideDiphosphoryl Chloride >diphosphoryl tetrachlorideDiphosphoryl chloride, 90+%

Diphosphoric tetrachlorideCl4O3P2Pyrophosphoryl Chloride; Phosphorodichloridic Anhydride; Phosphorus Chloride Oxide; Pyrophosphoryl Tetrachloride; Tetrachloropyrophosphoric AcidDiphosphoryl chloride, 97%SCHEMBL261403AKOS028109518D2883D90126

データベース識別子

CAS: 13498-14-1
PubChem CID: 4432411
DTXSID: DTXSID10159179
EC Number: 236-824-4
Nikkaji: J241.152K

物性

構造計算による物性

XLogP: 1.9
極性表面積: 43.4 Å²
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: 9
形式電荷: 0
複雑度: 154

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: -50 °C · <-50°C
沸点: 90 °C12 · 90 °C12 mm Hg(lit.)
比重(密度): 1.82 g/mL · 1.82 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.476
闪点: 101 °C/10mm · 101°C/10mm
貯蔵温度: 20 °C · −20°C
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
外見: 液体
色: 無色～淡黄色
比重: 1.82 · 1.82
水溶解度: 水と激しく反応ほとんどの有機溶媒と混和性。
InChI: InChI=1S/Cl4O3P2/c1-8(2,5)7-9(3,4)6
InChIKey: CNTIXUGILVWVHR-UHFFFAOYSA-N
SMILES: P(Cl)(Cl)(OP(Cl)(Cl)=O)=O
CAS データベース: 13498 · 13498-14-1(CAS DataBase Reference)

化学的性質 · 1 件

化学的特性Diphosphoryl chloride is a colorless liquid that produces smoke upon exposure to air and reacts violently with water. At temperatures as low as -30°C, it can react with water to form dichlorophosphoric acid (HPO2C12). The compound is soluble in a variety of solvents, including phosphorus trichloride, phosphorus oxychloride, thionyl chloride, benzene, other hydrocarbons, ether, and nitrobenzene.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationStatus: Active Update: 03-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23367

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

F: 10-21
wgk: 3
ridadr: UN 3264 8/PG 2
hs_code: 28121049
risk_code: 14-34
化審法: (1)-245 届出不要化学物質
hazard_code: C
safety_code: 26-36/37/39-45-60-30-23-20-8
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Pyrophosphoryl chloride serves as a reductive chlorination reagent used in the synthesis of quetiapine. It acts as a phosphorylating agent involved in nucleoside synthesis. It plays an important role in Vilsmeier formylation and glyoxylation reactions.