イソシアナトジクロロホスフィンオキシド

Phosphorisocyanatidic dichloride

HCID 70090CAS 870-30-4

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C=NP(=O)(Cl)Cl
InChIKey: QKPIQPBNFUNZSJ-UHFFFAOYSA-N
分子式: CCl2NO2P
平均分子量: 159.89 g/mol
単同位体質量: 158.9043706

名称と識別子

優先名称: Phosphorisocyanatidic dichloride
IUPAC: dichlorophosphorylimino(oxo)methane
現地名: イソシアナトジクロロホスフィンオキシド
英語名: Phosphoroisocyanatidic dichloride
分子式: CCl2NO2P
分子量: 159.9

名称と別名

Phosphorisocyanatidic dichloride870-30-4EINECS 212-794-8DTXSID80236047RefChem:173848DTXCID80158538212-794-8dichlorophosphorylimino(oxo)methanePHOSPHOROYL DICHLORIDE ISOCYANATEPhosphorisocyanatidicdichlorideR6XJ3VBW3Ldichlorophosphinyl isocyanate

名称をさらに表示

イソシアナトジクロロホスフィンオキシドりん酸ジクロリドイソシアナートホスホロイルジクロリドイソシアナートIsocyanatophosphoryl dichlorideDichlorophosphonylisocyanateIsocyanatophosphonic dichloridePhosphoryl dichloride isocyanatePhosphoric dichloride isocyanateIsocyanatodichlorophosphine oxide

dichlorophosphoryl isocyanateSCHEMBL5197619Dichloroisocyanatophosphine oxideIsocyanatophosphonic dichloride, 95%AKOS015958556NS00042579EN300-01224F9995-1801

データベース識別子

CAS: 870-30-4
PubChem CID: 70090
DTXSID: DTXSID80236047
UNII: R6XJ3VBW3L
EC Number: 212-794-8
Nikkaji: J195.143B

物性

構造計算による物性

XLogP: 2.1
極性表面積: 46.5 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: 1
重原子数: 7
形式電荷: 0
複雑度: 144

物理化学的性質

沸点: 20 · 20-24 °C(Press: 5 Torr)
比重(密度): 1.623 g/mL · 1.623 g/mL at 25 °C
屈折率: 20 · n20/D1.468
闪点: 71 ℃ · 71℃
外見: liquid
InChI: 1S/CCl2NO2P/c2-7(3,6)4-1-5
InChIKey: QKPIQPBNFUNZSJ-UHFFFAOYSA-N
SMILES: ClP(Cl)(=O)N=C=O

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Cease Manufacture Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24331

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Corr. 1B (100%)

法規制情報

Regulatory InformationStatus: Cease Manufacture Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24331

安全データ

wgk: 3
ridadr: UN 2922 6.1(8) / PGII
risk_code: 25-34
hazard_code: T
safety_code: 26-36/37/39-45
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials