1-ブロモ-3-メチルブタン
1-ブロモ-3-メチルブタン · 臭化イソペンチル · イソアミルブロミド · 臭化イソアミル · イソペンチルブロミド · 3-メチルブチルブロミド · iso-アミルブロマイド · isoアミルブロマイド

識別子と物理属性
| CAS No. | 107-82-4 |
|---|---|
| 分子式 | C5H11Br |
| 平均分子量 | 151.04 g/mol |
| 単同位体質量 | 150.00441 g/mol |
| SMILES | CC(C)CCBr |
| InChIKey | YXZFFTJAHVMMLF-UHFFFAOYSA-N |
| PubChem CID | 7891 |
| ChEMBL | CHEMBL158800 |
| EC No. | 203-522-9 |
| DTXSID | DTXSID7059353 |
| 現地名 | 1-ブロモ-3-メチルブタン |
化学・物理的性質
| XLogP | 2.7 |
|---|---|
| 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 | 2 |
| 重原子数 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 25 |
| 密度 | 1.210 g/cu cm at 15 °C1.207 @25 °C1.261 g/mL at 25 °C(lit.) |
| Color/Form | Colorless liquid |
| 溶解度 | Miscible with alcohol and etherIn water, 196 mg/L at 16.5 °CH2O: 16.5°C でわずかに溶ける (0.02g/100ml)0.2g/L(16℃) |
| 引火点 | -6 °C90 °F |
| 沸点 | 120-121 °C120-121 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen bromide/. |
| 融点 | -112 °C |
| 蒸気圧 | 34.6 [mmHg]34.6 mm Hg at 25 °C |
| 屈折率 | Index of refractive = 1.4433 at 15 °Cn20/D 1.4409(lit.) |
| ヘンリー定数 | Henry's Law constant = 3.46X10-2 atm-cu m/mol at 25 °C |
| Physical Description | 1-bromo-3-methylbutane appears as a colorless liquid. Slightly soluble in water and denser than water. Vapors are heavier than air.[Merck Index] |
| Kovats Retention Index | 83779685385686779410021009991 |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | 液体 |
| 色 | 無色透明 |
| Merck | 14,5114 |
| BRN | 773652 |
| ヘンリー定数 | 4.9×10-4 mol/(m3Pa) at 25℃, Mackay et al. (1993) |
| 誘電率 | 6.1(24℃) |
| InChI | 1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3 |
| InChIKey | YXZFFTJAHVMMLF-UHFFFAOYSA-N |
| SMILES | CC(C)CCBr |
| CAS データベース | 107-82-4(CAS DataBase Reference) |
| NISTの化学物質情報 | Butane, 1-bromo-3-methyl-(107-82-4) |
| EPAの化学物質情報 | Butane, 1-bromo-3-methyl- (107-82-4) |
化学的特性
clear colourless liquid
安全性と法規制
| GHS 分類 | DangerH225 (84.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]H226 (17.3%): Flammable liquid and vapor [Warning Flammable liquids]H302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (17.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (90.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (19.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Butane, 1-bromo-3-methyl-Status: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/239401-Bromo-3-methylbutane: Does not have an individual approval but may be used under an appropriate group standardThe 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 |
| 火災危険 | Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. (ERG, 2024) |
用途
用途
有機合成原料。
用途
有機合成用薬品
使用
1-Bromo-3-methylbutane was used in the synthesis of 1-(3-methylbutyl)pyrrole and in the production of pentyl peroxy radical by direct photolysis production method. It was also used as extraction solvent for determination of polycyclic aromatic hydrocarbons in water samples using liquid-liquid microextraction combined with gas chromatography-mass spectrometry. It is also used as an alkyl halide and organic synthesis reagent.
一般的な説明
A colorless liquid. Flash point 21°F. Slightly soluble in water and denser than water. Vapors are heavier than air.
製法・合成法
純化方法
Shake the bromide with conc H2SO4, wash with water, dry with K2CO3 and fractionally distil it. [Beilstein 1 IV 378.]