Diethylmalonyl dichloride

HCID 4149059CAS 54505-72-5

基本情報

標準SMILES: CCC(CC)(C(=O)Cl)C(=O)Cl
InChIKey: FWKCXFPQSXNCBW-UHFFFAOYSA-N
分子式: C7H10Cl2O2
平均分子量: 197.06 g/mol
単同位体質量: 196.00578492

名称と識別子

優先名称: Diethylmalonyl dichloride
IUPAC: 2,2-diethylpropanedioyl dichloride
英語名: Diethylmalonic acid dichloride
分子式: C7H10Cl2O2
分子量: 197.06

名称と別名

Diethylmalonyl dichloride54505-72-5DTXSID40399920RefChem:133515DTXCID20350776628-346-3FWKCXFPQSXNCBW-UHFFFAOYSA-N2,2-diethylpropanedioyl DichlorideDiethylmalonic acid dichloridediethylpropanedioyl dichlorideDIETHYLMALONICACIDDICHLORIDEDiathylmalonylchlorid

名称をさらに表示

Diethylmalonyl dichloride 98%2,2-diethylMalonyl dichloridePropanedioyl dichloride, 2,2-diethyl-

diethylmalonyl chloride2,2-diethylmalonyl chlorideSCHEMBL551928Diethylmalonyl dichloride, 98%DB-052592

データベース識別子

CAS: 54505-72-5
PubChem CID: 4149059
DTXSID: DTXSID40399920
EC Number: 628-346-3
Nikkaji: J1.325.617I

物性

構造計算による物性

XLogP: 3.1
極性表面積: 34.1 Å²
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: 4
重原子数: 11
形式電荷: 0
複雑度: 157

物理化学的性質

沸点: 197 · 197-199 °C (lit.)
比重(密度): 1.145 g/mL · 1.145 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.459(lit.)
闪点: 165 °F · 165 °F
貯蔵温度: 2 · 2-8°C
外見: liquid
InChI: 1S/C7H10Cl2O2/c1-3-7(4-2,5(8)10)6(9)11/h3-4H2,1-2H3
InChIKey: FWKCXFPQSXNCBW-UHFFFAOYSA-N
SMILES: CCC(CC)(C(Cl)=O)C(Cl)=O

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, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

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

安全データ

wgk: 3
ridadr: UN 3265 8/PG 2
risk_code: 34-36/37
hazard_code: C
safety_code: 23-26-27-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1BSTOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 1 件

使用Diethylmalonyl dichloride has been used in the preparation of:5,5-diethyl-1,3-dihydroxybarbituric acid (N,N′-dihydroxyveronal) via condensation with 1,3-dibenzyloxyurea1,11-dibronzo-4,8-diaza-6,6-diethyl-5,7-dioxoundecaneamide containing crowned derivatives of dithiomaleonitrile