5-Bromovaleryl chloride (HCID 521173)

名称と識別子

優先名称: 5-Bromovaleryl chloride
IUPAC: 5-bromopentanoyl chloride
現地名: 5-ブロモバレリルクロリド
英語名: 5-Bromovaleryl chloride
分子式: C5H8BrClO
分子量: 199.47

名称と別名

5-Bromovaleryl chloride4509-90-4DTXSID40334573RefChem:1072748DTXCID502856635-Bromopentanoyl chloride5-Bromovaleroyl Chloride5-Bromovalerylchloride5-bromovaleric acid chloride5-bromo-pentanoyl chloridebromovalerylchlorideMFCD00013660

名称をさらに表示

5-ブロモバレリルクロリド5-ブロモ吉草酸クロライド5-ブロモバレロイルクロリド5-ブロモバレリル=クロリド塩化5-ブロモペンタノイル5-ブロモワレリルクロリドTECO-0045-broMo-aMyl chloride5-BroMobalery chloride5-BromovalericChloride5-Bromovalery chloride5-BromovaIeryI Chloride5-Bromovaleryl chloride,98%

5-bromovaleric chlorideSCHEMBL50102AKOS006222732B2059H11319bromovaleryl cbromovaleryl chlorideAM85775

データベース識別子

CAS: 4509-90-4
PubChem CID: 521173
DTXSID: DTXSID40334573
UNII: X9K7ZM48B5
EC Number: 629-364-4
Nikkaji: J1.228.757G

物性

構造計算による物性

XLogP: 2.2
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: 74.8

物理化学的性質

沸点: 116 · 116-118 °C/33 mmHg (lit.)
比重(密度): 1.49 g/mL · 1.49 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.492(lit.)
闪点: 225 °F · 225 °F
貯蔵温度: -20 °C, · -20°C, sealed storage, away from moisture
外見: clear liquid
色: Colorless to Light yellow to Light orange
比重: 1.49 · 1.49
水溶解度: 水と反応する。
InChI: InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey: OKRUMSWHDWKGHA-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCCCBr
CAS データベース: 4509 · 4509-90-4(CAS DataBase Reference)

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

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 9 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: 07-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/28160

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 34-36/37
消防法: 危-4-3-III
hazard_code: C
hazard_note: Harmful/Corrosive/Lachrymatory/Moisture Sensitive
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Irrit. 2Skin Corr. 1BSTOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 3 件

用途有機合成試薬。

説明5-Bromovaleryl chloride is a chemical compound that functions as an acylating agent in organic synthesis. It is used to introduce the 5-bromovaleryl group into various organic molecules, allowing for the modification of their chemical properties. The mode of action of 5-Bromovaleryl chloride involves the substitution of the hydroxyl group in organic compounds with the 5-bromovaleryl group, leading to the formation of new chemical bonds. This process can be utilized to create novel compounds with specific functional groups for further study and analysis.

使用5-Bromovaleryl chloride was used in the preparation of aromatic azides and organic gelators.