1-Pentene, 5-bromo- (HCID 70704)

名称と識別子

優先名称: 1-Pentene, 5-bromo-
IUPAC: 5-bromopent-1-ene
現地名: 5-ブロモ-1-ペンテン
英語名: 5-Bromo-1-pentene
分子式: C5H9Br
分子量: 149.03

名称と別名

5-Bromo-1-pentene1119-51-35-Bromopent-1-ene1-Pentene, 5-bromo-EINECS 214-281-4DTXSID70615125Bromopent1ene1Pentene, 5bromoRefChem:435416DTXCID6033249214-281-4InChI=1/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H

名称をさらに表示

5-ブロモ-1-ペンテン4-ペンテニルブロミド5‐ブロモ‐1‐ペンテン5-ブロモペント-1-エン5c3-Pentenylbromide5-bC5H9Br5-bromo-1-penten-Bromo-1-pentene5-BROMOPENTENE-1

1-Bromo-4-pentene4-Pentenyl bromide5-Bromopentene5-bromo-pent-1-eneMFCD000002641-Bromo-4-pentene; 4-Pentenyl Bromide;5-bromo-pentenePent-4-enyl bromide

データベース識別子

CAS: 1119-51-3
PubChem CID: 70704
DTXSID: DTXSID7061512
UNII: 52KT8WE89J
EC Number: 214-281-4
Nikkaji: J97.476E

物性

構造計算による物性

XLogP: 2.4
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 3
重原子数: 6
形式電荷: 0
複雑度: 32.9

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -106.7 °C · -106.7°C (estimate)
沸点: 126 · 126-127 °C/765 mmHg (lit.)
比重(密度): 1.258 g/mL · 1.258 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.463(lit.)
闪点: 30 °C · 30 °C
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム、酢酸エチル
外見: 油
色: 無色透明
比重: 1.258 · 1.258
水溶解度: 水と混和しない。
BRN: 506077 · 506077
InChI: 1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2
InChIKey: LPNANKDXVBMDKE-UHFFFAOYSA-N
SMILES: BrCCCC=C
CAS データベース: 1119 · 1119-51-3(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Pentene, 5-bromo-(1119-51-3)
EPAの化学物質情報: 1 · 1-Pentene, 5-bromo- (1119-51-3)

化学的性質

化学的特性Clear colorless to yellow 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, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 55 reports by companies from 13 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: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19865

5-Bromo-1-pentene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Allyl iodide and Allyl bromide. See 3,4-Dichloro-1-butene and 3-Chloro-2-methyl-1-propene.

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

安全データ

F: 8
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29033036
risk_code: 10-36/37/38
化審法: (2)-67
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-24/25-16
hazard_class: 3
packing_group: II
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information1-Pentene, 5-bromo-: ACTIVE

応用分野 · 2 件

説明5-Bromo-1-pentene is an organic compound with a molecular weight of 149.03. The formula of this compound is C5H9Br. It is a colorless, transparent liquid. The molecular structure of this molecule contains both double bonds and bromine atoms, giving it the properties of olefins and halogenated hydrocarbons. It serves as the starting material for the synthesis of DL-histrionicotoxin and phenyl-ketone fatty acids. Additionally, it is a fundamental chemical and pharmaceutical intermediate, finding wide applications in the fields of medicine, pesticides, and material chemistry.

使用5-Bromo-1-pentene is widely utilized in the stereoselective synthesis of 7alpha-(3-carboxypropyl) estradiol. It plays an important role as starting material in the synthesis of a variety of compounds including DL-histrionicotoxin and benzophenone containing fatty acids.