5-Chlorovaleryl chloride (HCID 74089)

概要

an alkylating agent; structure in first source

名称と識別子

優先名称: 5-Chlorovaleryl chloride
IUPAC: 5-chloropentanoyl chloride
現地名: 5-クロロ吉草酸クロリド
英語名: 5-Chlorovaleryl chloride
分子式: C5H8Cl2O
分子量: 155.02

名称と別名

5-Chlorovaleryl chloride1575-61-7Valeryl chloride, 5-chloro-DTXSID601662725-CVC cpdRefChem:102413DTXCID4088763216-403-15-Chloropentanoyl chloride5-Chlorovaleroyl chloridePentanoyl chloride, 5-chloro-5-Chlorovalerylchloride

名称をさらに表示

5-クロロ吉草酸クロリド5-クロロバレリルクロリド5-クロロ吉草酸クロリド5-クロロバレリル=クロリド塩化5-クロロバレリル5-クロロペンタノイルクロリド5‐クロロバレリルクロリド5-クロロペンタノイルクロリド5-ChlorvalerylchloridorovaL5-Chlorovaleryl5-Cl-valeryl ClApixaban Impurity 565-chloro aMyl chloride5 - chlorine e chloride5-chloro-valerylchlorid

MFCD000007585-chlorovaleric acid chloride5-chloro-pentanoyl chlorideNSC-84182EINECS 216-403-1NSC 84182BRN 1745182chlorovaleryl chloride

データベース識別子

CAS: 1575-61-7
PubChem CID: 74089
DTXSID: DTXSID60166272
UNII: MA49NLR6V9
EC Number: 216-403-1
Nikkaji: J40.784D

物性

構造計算による物性

XLogP: 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: 4
重原子数: 8
形式電荷: 0
複雑度: 72.8

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

沸点: 38 · 38-39 °C0.15 mm Hg(lit.)
比重(密度): 1.206 g/mL · 1.206 g/mL at 20 °C
屈折率: 20 · n20/D 1.464(lit.)
闪点: 195 °F · 195 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Acetonitrile (Slightly), Chloroform (Sparingly)
外見: 液体
色: 無色透明～微黄色透明
比重: 1.2 · 1.200
PH: 7 · <7 (H2O, 20℃)
爆発限界(explosive limit): 2 · 2.0-10.2%(V)
水溶解度: 反応する
BRN: 1745182 · 1745182
安定性: Corrosive, Moisture Sensitive
InChI: 1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey: SVNNWKWHLOJLOK-UHFFFAOYSA-N
SMILES: ClCCCCC(Cl)=O
CAS データベース: 1575 · 1575-61-7(CAS DataBase Reference)

化学的性質

化学的特性clear colourless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H290 (72.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11585

Hazard Classes and CategoriesMet. Corr. 1 (72.9%)

安全データ

F: 10-19-21
wgk: 1
rtecs: YV9108000
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 22-34-23-23/34
消防法: 危-4-3-III
hazard_code: C,T
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用5-Chlorovaleroyl chloride (5-CVC) has been used in the development and validation of a GC-FID method for the analysis of low level impurities present in 5-CVC. It has been used in the synthesis of anion-exchange resins by acylation of polystyrene/divinylbenzene and subsequent amination with trimethylamine. It is commonly used as alkylating agent in the synthesis of pharmaceutical intermediates and other specialty chemicals.

一般的な説明5-Chlorovaleroyl chloride is commonly used as alkylating agent in the synthesis of pharmaceutical intermediates and other specialty chemicals.