アリルブロミド
アリルブロミド · 2-プロペニルブロミド · 3-ブロモ-1-プロペン · 臭化アリル · 1-ブロモ-2-プロペン · 3-ブロモプロペン · 3-ブロモプロピレン · ３－臭化プロピレン
識別子と物理属性
| CAS No. | 106-95-6 |
|---|---|
| 分子式 | C3H5Br |
| 平均分子量 | 120.98 g/mol |
| 単同位体質量 | 119.95746226 g/mol |
| SMILES | C=CCBr |
| InChIKey | BHELZAPQIKSEDF-UHFFFAOYSA-N |
| PubChem CID | 7841 |
| ChEMBL | CHEMBL1429506 |
| EC No. | 203-446-6 |
| DTXSID | DTXSID8024442 |
| 現地名 | アリルブロミド |
化学・物理的性質
| XLogP | 1.8 |
|---|---|
| 極性表面積 | 0 |
| 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 | 1 |
| 重原子数 | 4 |
| 形式電荷 | 0 |
| 複雑度 | 17.2 |
| 物質分類 | Other Classes -> Halogenated Aliphatics, UnsaturatedFlammable agents - 3rd degree |
| SpringerMaterials Properties | Schoenflies notation |
| LogP（分配係数） | log Kow = 1.791.9 |
| 臭い | Unpleasant, pungent不快 |
| 密度 | 1.4161 at 68 °F (USCG, 1999) - Denser than waterwill sink1.398 at 20 °C/4 °C1.3980 @ 20°C1.398 g/mL at 25 °C(lit.) |
| Color/Form | Colorless to light yellow liquid |
| 溶解度 | Miscible with alcohol, chloroform, ether, carbon disulfide, carbon tetrachlorideIn water, 3,835 mg/L at 25 °CChloroform (Soluble)不溶性 |
| 引火点 | 28 °F (USCG, 1999)-1 °C30 °F (-1 °C) |
| 沸点 | 158 °F at 760 mmHg (USCG, 1999)71.3 °C at 760 mm Hg71.3 °C @760 [mm Hg]70-71 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen bromide/. |
| 融点 | -182 °F (USCG, 1999)-119 °C |
| 蒸気密度 | 4.17 (Air = 1)4.2 (vs air) |
| 蒸気圧 | 18.66kPa at 25℃ |
| 屈折率 | n20/D 1.469(lit.) |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 液体 |
| 色 | 無色透明～微有色透明 |
| 比重 | 1.398 |
| 爆発限界 | 4.3-7.3%(V) |
| Merck | 14,288 |
| BRN | 605308 |
| ヘンリー定数 | 1.7×10-3 mol/(m3Pa) at 25℃, Yaws (2003) |
| 誘電率 | 7.0 |
| 安定性 | 安定。可燃性。強力な酸化剤とは相容れない。 |
| InChI | 1S/C3H5Br/c1-2-3-4/h2H,1,3H2 |
| InChIKey | BHELZAPQIKSEDF-UHFFFAOYSA-N |
| SMILES | BrCC=C |
| LogP（分配係数） | 1.79 |
| CAS データベース | 106-95-6(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Propene, 3-bromo-(106-95-6) |
| EPAの化学物質情報 | 3-Bromopropene (106-95-6) |
化学的特性
Allyl bromide is a flammable liquid with an intense, acrid, persistent smell. It is insoluble in water but in alcohol, aether, acetone, carbon tetrachloride, and chloroform. Allyl bromide is used to synthesize other allyl compounds, to synthesize dyestuff and spice, and as a curative in the medicine industry. Allyl bromide has a very high mobility in soil. It is also used as a soil fumigant and as a contact poison. Allyl bromide induces unscheduled DNA synthesis in HeLa cells.
安全性と法規制
| GHS 分類 | DangerH225 (92.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| 規制情報 | Chemical: 1-Propene, 3-bromo-1-Propene, 3-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propene, 3-bromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 18-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/103333-Bromo-1-propene: HSNO Approval: HSR004256 Approved with controlsThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 輸送ラベル（DOT） | Flammable Liquid Poison |
| 火災危険 | Special Hazards of Combustion Products: Toxic hydrogen bromide and bromine gases formed in fire.· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| 火災の可能性 | Dangerous fire and explosion hazard when exposed to heat or flame. |
| 健康有害性 | Inhalation of vapor irritates mucous membranes and causes dizziness, headache, and lung irritation. Contact with liquid irritates eyes and skin. Ingestion causes irritation of mouth and stomach. (USCG, 1999)· TOXICmay be fatal if inhaled, ingested or absorbed through skin. |
| 有害性の概要 | A skin, eye, and respiratory tract irritantMay cause severe burns to skin and eyesMay be mutagenic |
用途
用途
有機合成(和光試薬時報Vol.64 No.2,p.26(1996))。
用途
有機合成原料 (化学工業日報社)
一般的な説明
Allyl bromide appears as a clear colorless to light yellow liquid with an irritating unpleasant odor. Flash point 30 °F. Irritates eyes, skin, and respiratory system. Toxic by skin absorption. Denser than water and slightly soluble in water.
製法・合成法
合成方法
アリルアルコールに三臭化リンや臭化水素酸を作用させて合成する
純化方法
Wash the bromide with NaHCO3 solution then distilled water, dry (CaCl2 or MgSO4), and fractionally distil. Protect it from strong light.