Cyclopropanecarbonyl chloride (HCID 77637)

名称と識別子

優先名称: Cyclopropanecarbonyl chloride
IUPAC: cyclopropanecarbonyl chloride
現地名: シクロプロパンカルボニルクロリド
英語名: Cyclopropanecarbonyl Chloride
分子式: C4H5ClO
分子量: 104.53

名称と別名

Cyclopropanecarbonyl chlorideCyclopropanecarboxylic acid chlorideCyclopropane carbonyl chlorideCyclopropylcarboxyl chloridecyclopropane carboxylic acid chlorideEINECS 223-684-4DTXSID2063266EC 223-684-4RefChem:129929DTXCID9039735223-684-4ZOOSILUVXHVRJE-UHFFFAOYSA-N

名称をさらに表示

シクロプロパンカルボニルクロリドシクロプロパンカルボン酸クロリドシクロプロパンカルボニルクロライド塩化物シクロプロパンカルボニル=クロリドシクロプロパンカルボニルクロライドCPCCICyclopropanecarbonylCPA-ClopropanecarbonyLArtemether Impurity 12Cyclopropylformyl chloride

4023-34-1Cyclopropanoyl chloridecyclopropylcarbonyl chlorideCyclopropyl carboxylic chloridecyclopropylcarboxylic acid chloridecyclopropane-d5-carbonyl chloridecyclopropyl carbonyl chlorideCyclopropylbenzoyl chloride

データベース識別子

CAS: 4023-34-1
PubChem CID: 77637
DTXSID: DTXSID2063266
UNII: 6J5U4R2KAF
EC Number: 223-684-4
Nikkaji: J23.515F

物性

構造計算による物性

XLogP: 1.2
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: 1
重原子数: 6
形式電荷: 0
複雑度: 75.6

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

物理化学的性質

融点: 77.5 · 77.5-78.5 °C(Solv: hexane (110-54-3))
沸点: 119 °C · 119 °C(lit.)
比重(密度): 1.152 g/mL · 1.152 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.452(lit.)
闪点: 74 °F · 74 °F
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Chloroform
外見: 液体
比重: 1.152 · 1.1520
色: 無色透明～微黄色透明
水溶解度: 分解する
BRN: 471286 · 471286
安定性: Moisture Sensitive
InChI: 1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2
InChIKey: ZOOSILUVXHVRJE-UHFFFAOYSA-N
SMILES: ClC(=O)C1CC1
CAS データベース: 4023 · 4023-34-1(CAS DataBase Reference)
NISTの化学物質情報: Cyclopropanecarboxylic acid chloride(4023-34-1)
EPAの化学物質情報: Cyclopropanecarbonyl chloride (4023-34-1)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (86.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 270 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Cyclopropanecarbonyl chloride

Status: Active Update: 12-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11347

Cyclopropanecarboxylic acid chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (86.3%)

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
毒性: LD50 orally in Rabbit: 200 mg/kg
hs_code: 29162000
risk_code: 10-34-29-25-36-38
消防法: 危-4-2-III
hazard_code: C,F
safety_code: 26-36/37/39-45-8-16
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationCyclopropanecarbonyl chloride: ACTIVE

応用分野 · 2 件

用途有機合成原料。

使用Cyclopropanecarbonyl chloride can be used as an alkylating reagent in the preparation of some chemical building blocks such as formylcyclopropane, cyclopropanecarboxylic acid hydrazide, bis(cyclopropylcarbonyl) peroxide, 1-cyclopropanecarboxamide, 2-cyclopropylcarbonylcyclohexane-1,3-diones and cyclopropyl analog of triazolopiperazine-amides.

調製方法 · 1 件

純化方法If the IR shows OH bands, then some hydrolysis to the free acid must have occurred. In this case heat with oxalyl chloride at 50o for 2hours or SOCl2 for 30minutes, then evaporate and distil three times using a Dufton column (p 10). Store it in an inert dry atmosphere, preferably in sealed tubes. Strong IRRITANT. If it is free from OH bands, then just distil it in vacuo and store as before. [Jeffrey & Vogel J Chem Soc 1804 1948, Beilstein 9 IV 4.]