ジメチルマロニルジクロリド

Dimethylmalonyl Dichloride

HCID 4523180

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5659-93-8
標準SMILES: CC(C)(C(=O)Cl)C(=O)Cl
InChIKey: CJXQAYQWVNXIQE-UHFFFAOYSA-N
分子式: C5H6Cl2O2
平均分子量: 169 g/mol
単同位体質量: 167.9744848

名称と識別子

優先名称: Dimethylmalonyl Dichloride
IUPAC: 2,2-dimethylpropanedioyl dichloride
現地名: ジメチルマロニルジクロリド
英語名: DIMETHYLMALONYL CHLORIDE
分子式: C5H6Cl2O2
分子量: 169.01

名称と別名

Dimethylmalonyl DichlorideRefChem:588572628-043-6Dimethylmalonyl chloride5659-93-82,2-dimethylpropanedioyl Dichloridedimethylmalonylchloride2,2-Dimethylmalonic acid dichlorideDimethylmalonylchloridPropanedioyl dichloride, 2,2-dimethyl-DimethylmalonylDichlorideMFCD00192081

名称をさらに表示

ジメチルマロニルジクロリドジメチルマロニルクロリド2,2-diMethylMalonyl dichlorideDiMethylMalonyl chloride 98%Dimethylmalonyl Dichloride >2,2-dimethylpropanedioyl dichlorideDIMETHYLMALONYL CHLORIDE ISO 9001：2015 REACH

SCHEMBL808933Dimethylmalonyl chloride, 98%DTXSID60403917DIMETHYLPROPANEDIOYL DICHLORIDEPropanedioyl dichloride, dimethyl-dimethylmalonic acid dichloridedimethyl malonyl chloride2,2-Dimethylmalonyl chloride

データベース識別子

CAS: 5659-93-8
PubChem CID: 4523180
DTXSID: DTXSID60403917
EC Number: 628-043-6
Nikkaji: J980.522B

物性

構造計算による物性

XLogP: 2.4
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: 2
重原子数: 9
形式電荷: 0
複雑度: 135

実験および物理化学的性質

Kovats Retention Index915.3

物理化学的性質

沸点: 60 °C10 · 60 °C10 mm Hg(lit.)
比重(密度): 1.278 g/mL · 1.278 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.451(lit.)
闪点: 125 °F · 125 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: clear liquid
色: Colorless to Light yellow
BRN: 774374 · 774374
InChI: 1S/C5H6Cl2O2/c1-5(2,3(6)8)4(7)9/h1-2H3
InChIKey: CJXQAYQWVNXIQE-UHFFFAOYSA-N
SMILES: CC(C)(C(Cl)=O)C(Cl)=O
CAS データベース: 5659 · 5659-93-8

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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.