CAS 1121-37-5 Dicyclopropyl ketone (HCID 70721)

名称と識別子

優先名称: Dicyclopropyl ketone
IUPAC: dicyclopropylmethanone
現地名: ジシクロプロピルケトン
英語名: Dicyclopropyl ketone
分子式: C7H10O
分子量: 110.15

名称と別名

Dicyclopropyl ketone1121-37-5DicyclopropylketoneCyclopropyl ketoneMethanone, dicyclopropyl-FGQ92KB360NSC-49148DTXSID70149910RefChem:133260DTXCID8072401214-331-5Dicyclopropylmethanone

名称をさらに表示

ジシクロプロピルケトンジシクロプロピルケトンジシクロプロピルメタノンジシクロプロピルケトン, 95%DICYLOPROPYL KETONEBicyclopropylKetoneDicyclopropylKetone>DICYCLOPROPYLMETHYLOXIMEDicyclopropyl ketone,95%Methanone,dicyclopropyl-Dicyclopropyl-methanoneNSC

dicyclopropyl-methanoneMFCD00001276dicyclopropylmethyloximeEINECS 214-331-5NSC 49148AI3-37701DICYCLOPROPYL-KETONDicyclopropylketone, 90%

データベース識別子

CAS: 1121-37-5
PubChem CID: 70721
DTXSID: DTXSID70149910
UNII: FGQ92KB360
EC Number: 214-331-5
Nikkaji: J80.161E

物性

構造計算による物性

XLogP: 0.9
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 106

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

物理化学的性質

融点: 44 · 44.0-44.5 °C
沸点: 160 · 160-162 °C(lit.)
比重(密度): 0.977 g/mL · 0.977 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.467(lit.)
闪点: 103 °F · 103 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: liquid
比重: 0.957 · 0.957
水溶解度: 水に溶ける。
BRN: 774172 · 774172
Henry's Law Constant: 3.1 · 3.1×100 mol/(m3Pa) at 25℃, Bagno et al. (1991)
InChI: InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2
InChIKey: BIPUHAHGLJKIPK-UHFFFAOYSA-N
SMILES: C(C1CC1)(C1CC1)=O
CAS データベース: 1121 · 1121-37-5(CAS DataBase Reference)
NISTの化学物質情報: Methanone, dicyclopropyl-(1121-37-5)

化学的性質

化学的特性clear colourless to yellowish liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 103 reports by companies from 7 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1224 3/PG 3
hs_code: 29142900
risk_code: 10-36/37/38-20/21/22-5
消防法: 危-4-2-III
hazard_code: F,Xn
hazard_note: Harmful/Flammable
safety_code: 16-36-26-3
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用Dicyclopropyl Ketone is used as a reagent in the synthesis of a new class of potent and selective agonists of dimeric carbamoylguanidine-type histamine H2 receptor ligands. Also used in the preparation of chemical space analogs of PNU-282,987 and SSR180711, which have nicotinic receptor activity.

調製方法 · 1 件

製造方法Preparation of Dicyclopropyl ketoneReaction: To a one liter three-necked flask fitted with a reflux condenser and a metal Hershberg stirrer there was added 600 ml. of 20% sodium hydroxide and 165g . (0.9mole) of 1,7 -dichloro-4-heptanone. The mixture was refluxed for 30 minutes with vigorous stirring, then steam distilled until the characteristic odor of dicyclopropyl ketone was absent from the distillate. The distillate was then saturated with potassium carbonate, the upper layer separated and the water layer extracted once with ether. The combined organic layers were dried over potassium carbonate. after removal of the ether there was dist illed 69g. (70%) of dicyclopropyl ketone, b.p . 69° at 20 mm, nD25 1.4648-1.4654.