基本情報
- CAS
677-43-0- 標準SMILES
CN(C)P(=O)(Cl)Cl- InChIKey
YNHXBEVSSILHPI-UHFFFAOYSA-N- 分子式
- C2H6Cl2NOP
- 平均分子量
- 161.95 g/mol
- 単同位体質量
- 160.9564058
概要
This is a chemical weapon, chemical weapon precursor, or chemical weapon impurity which is similar to ethyl phosphorodichloridate. See the chemical datasheet for ethyl phosphorodichloridate for more information.
名称と識別子
- 優先名称
- N,N-Dimethylaminophosphoryl dichloride
- IUPAC
- N-dichlorophosphoryl-N-methylmethanamine
- 現地名
- ジメチルアミノホスホリル ジクロリド
- 英語名
- N,N-DIMETHYLPHOSPHORAMIDODICHLORIDATE
- 分子式
- C2H6Cl2NOP
- 分子量
- 161.95
名称と別名
677-43-0Dimethylphosphoramidic dichlorideDichlorophosphoric dimethylamidePHOSPHORAMIDIC DICHLORIDE, DIMETHYL-(Dimethylamido)phosphoric dichlorideDimethylamidophosphoric acid dichlorideN,N-Dimethylaminophosphoryl dichlorideEINECS 211-641-2XG32RK7L5QN,N-Dimethyl phosphoramidic dichlorideNSC 203138BRN 0969956
名称をさらに表示
ジメチルアミノホスホリル ジクロリド(ジメチルアミノ)ジクロロホスフィンオキシドN,N-ジメチルアミドりん酸ジクロリドジメチルアミノジクロロホスフィンオキシドジクロロ(ジメチルアミノ)ホスフィンオキシドN,N-ジメチルホスホルアミド酸ジクロリドN,N-ジメチルアミノジクロロホスフィンオキシドジクロロホスフィンサンジメチルアミドジクロロホスフィン酸ジメチルアミドジメチルアミノホスホリルジクロリドジメチルアミドりん酸ジクロリド(ジメチルアミノ)ホスホノイル ジクロリドN,N-ｼﾞﾒﾁﾙﾎｽﾎﾙｱﾐｼﾞｸ=ｼﾞｸﾛﾗｲﾄﾞDMPADC(CH3)2NPOCl2Dimethylamidophosphoric Dichlordimethyl-phosphoramidicdichloriddimethylphosphoramidicdichloride
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 20.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 97.9
実験および物理化学的性質
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionThis is a chemical weapon, chemical weapon precursor, or chemical weapon impurity which is similar to ethyl phosphorodichloridate. See the chemical datasheet for ethyl phosphorodichloridate for more information.
物理化学的性質
- 沸点
- 77 · 77-79 °C/11 mmHg (lit.)
- 比重(密度)
- 1.362 g/mL · 1.362 g/mL at 20 °C (lit.)
- 屈折率
- 20 · n20/D 1.464
- 闪点
- 89 · 89-90°C/20mm
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- ジメトキシエタンと混和する。
- 酸解離定数(Pka)
- -6.6 · -6.60±0.70(Predicted)
- 外見
- Oil to Semi-Solid
- 色
- Colourless to Off-White
- BRN
- 969956 · 969956
- 安定性
- Hygroscopic, Moisture Sensitive
- InChI
- InChI=1S/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3
- InChIKey
- YNHXBEVSSILHPI-UHFFFAOYSA-N
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
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 48 reports by companies from 6 notifications to the ECHA C&L Inventory.
危険有害性情報
Reactive GroupAmides and Imides
Reactivity AlertsWater-Reactive
Reactivity ProfileIn contact with water, this chemical is expected to generate corrosive hydrochloric acid and acidic fumes.
Air and Water ReactionsThis compound is expected to form corrosive hydrochloric acid on contact with water.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
DHS Chemicals of Interest (COI)
N,N-Dimethylphosphoramidic dichloride
30.00
2.2
Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.
法規制情報
DHS Chemicals of Interest (COI)
N,N-Dimethylphosphoramidic dichloride
30.00
2.2
Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.
化学と産業
応用分野
使用N,N-Dimethylphosphoramidodichloridate is used in the synthesis of phosphoramidates as well as (RS)-ethyl N,N-dimethylphosphoramidocyanidate (Nerve agent GA) which is used as a chemical weapon. It forms active intermediates, which react with alcohols in situ to give esters. It is also used to convert primary alcohols to alkyl chlorides. Furthe, it serves as an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. In addition to this, it reacts with 1,2 diols to prepare cyclic phosphoric amides followed by alkenes after reduction.
調製方法
製造方法N,N-DIMETHYLPHOSPHORAMIDODICHLORIDATE is obtained by treatment of Phosphorus Oxychloride with dimethylamine.
上流・下流製品情報
下流製品
関連反応
2 件
化合物ノート
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