2-Pentanone, 5-chloro- (HCID 79993)

名称と識別子

優先名称: 2-Pentanone, 5-chloro-
IUPAC: 5-chloropentan-2-one
現地名: 5-クロロ-2-ペンタノン
英語名: 5-Chloro-2-pentanone
分子式: C5H9ClO
分子量: 120.58

名称と別名

5-Chloro-2-pentanone5-Chloropentan-2-one5891-21-42-Pentanone, 5-chloro-1-Chloro-4-pentanone3-Chloropropyl methyl ketone2-Pentanone 5-chloro-NSC 8427EINECS 227-565-8NSC 60210AI3-08709DTXSID9064053

名称をさらに表示

5-クロロ-2-ペンタノン1-アセチル-3-クロロプロパンメチル3-クロロプロピルケトン5-クロロ-2-ペンタノン塩化物3-クロロプロピルメチルケトン5-クロロペンタン-2-オン5-クロロ-2-ペンタノン, 94%oro-2-pentanoneChloro-2-pentan5-chloro -2-ketone5-chloro-2-pentanonChloropentanonetech-Chloro-2-pentanoneACETYLPROPYL CHLORIDE

XVRIEWDDMODMGA-UHFFFAOYSA-RefChem:477840DTXCID3042502227-565-8InChI=1/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3MFCD000010085-chloro-pentan-2-oneNSC-8427

データベース識別子

CAS: 5891-21-4
PubChem CID: 79993
DTXSID: DTXSID9064053
UNII: V4XZG82VP5
EC Number: 227-565-8
Nikkaji: J24.223C

物性

構造計算による物性

XLogP: 0.8
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: 3
重原子数: 7
形式電荷: 0
複雑度: 61.1

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

沸点: 71 · 71-72 °C/20 mmHg (lit.)
比重(密度): 1.057 g/mL · 1.057 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.438(lit.)
闪点: 96 °F · 96 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: クロロホルム、メタノールに可溶。
外見: 液体
比重: 1.057 · 1.057
色: ブラウンからブラック
BRN: 1098490 · 1098490
安定性: Volatile
InChI: InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChIKey: XVRIEWDDMODMGA-UHFFFAOYSA-N
SMILES: CC(=O)CCCCl
CAS データベース: 5891 · 5891-21-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Pentanone, 5-chloro-(5891-21-4)
EPAの化学物質情報: 2 · 2-Pentanone, 5-chloro- (5891-21-4)

化学的性質

化学的特性Brown to black liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17385

5-Chloro-2-pentanone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (92.9%)

安全データ

F: 8-10
wgk: 3
tsca: TSCA listed
rtecs: SA8143500
ridadr: UN 1224 3/PG 3
hs_code: 29147090
risk_code: 36/37/38-22-10
消防法: 危-4-2-III
hazard_code: Xn,F
safety_code: 23-24/25-37/39-26-16
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information2-Pentanone, 5-chloro-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

説明5-Chloro-2-pentanone (5C2P) is an important organic reagent used as a pharmaceutical intermediate for the preparation of therapeutic anti-COVID-19 drugs. 5C2P is also used as a raw material for the synthesis of octamethol and related compounds. In chemical reactions, 5C2P can be cyclised with hydrazine. In conclusion, 5C2P and its derivatives have a wide range of applications in the pharmaceutical and agrochemical industries.

使用5-Chloro-2-pentanone used in the preparation of destructible surfactants.