5-ブロモ-1-ペンテン
1-Pentene, 5-bromo-
基本情報
- CAS
1119-51-3- 標準SMILES
C=CCCCBr- InChIKey
LPNANKDXVBMDKE-UHFFFAOYSA-N- 分子式
- C5H9Br
- 平均分子量
- 149.03 g/mol
- 単同位体質量
- 147.98876239
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 Ų
- 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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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
化学と産業
用途と製造
General Manufacturing Information1-Pentene, 5-bromo-: ACTIVE
応用分野
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.
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