1,2-ジブロモプロパン
1,2-ジブロモプロパン · 二臭化プロピレン · 臭化プロピレン · プロピレンジブロミド · プロピレンブロミド · 1,2‐ジブロモプロパン · 1,2-ジブロモプロパン, 10.0 mg/mL in Hexane · 1,2-ジブロモプロパン, 5.0 mg/mL in MeOH
識別子と物理属性
| CAS No. | 78-75-1 |
|---|---|
| 分子式 | C3H6Br2 |
| 平均分子量 | 201.89 g/mol |
| 単同位体質量 | 199.88362439 g/mol |
| SMILES | CC(Br)CBr |
| InChIKey | XFNJYAKDBJUJAJ-UHFFFAOYSA-N |
| PubChem CID | 6553 |
| EC No. | 201-139-1 |
| DTXSID | DTXSID60870403 |
| 現地名 | 1,2-ジブロモプロパン |
化学・物理的性質
| XLogP | 2.2 |
|---|---|
| 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 | 5 |
| 形式電荷 | 0 |
| 複雑度 | 20.9 |
| 物質分類 | Other Classes -> Halogenated Aliphatics, Saturated |
| 密度 | 1.94 at 68 °F (NTP, 1992) - Denser than waterwill sink1.9324 g/cu cm at 20 °C1.937 g/mL at 25 °C(lit.) |
| Viscosity | 1.623 cP at 20 °C |
| Color/Form | Colorless liquid |
| 溶解度 | In water, 1.43X10+3 mg/L at 25 °CSoluble in ethanol, ether, and chloroformslightly soluble in carbon tetrachloride.有機溶剤: 混和性わずかに溶ける |
| 引火点 | Flash point: <-75 °C35 °C |
| 沸点 | 284 to 288 °F at 760 mmHg (NTP, 1992)141.9 °C140-142 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen bromide/. |
| 融点 | -67.4 °F (NTP, 1992)-55.49 °C-55 °C |
| 蒸気密度 | 7 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| 蒸気圧 | 7.84 [mmHg]7.84 mm Hg at 25 °C |
| Surface Tension | 34.14 dyne/cm at 20 °C |
| 屈折率 | n20/D 1.519(lit.) |
| 貯蔵条件 | Flammables area |
| 外観・状態 | clear liquid |
| 色 | Colorless to Light yellow to Light orange |
| Merck | 14,7853 |
| BRN | 1718884 |
| ヘンリー定数 | 5.3×10-3 mol/(m3Pa) at 25℃, Albanese et al. (1987) |
| 誘電率 | 4.2999999999999998 |
| 安定性 | 安定。可燃性。強酸化剤、強塩基、マグネシウムとは相容れない。 |
| InChI | 1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3 |
| InChIKey | XFNJYAKDBJUJAJ-UHFFFAOYSA-N |
| SMILES | CC(Br)CBr |
| CAS データベース | 78-75-1(CAS DataBase Reference) |
| NISTの化学物質情報 | Propane, 1,2-dibromo-(78-75-1) |
| EPAの化学物質情報 | 1,2-Dibromopropane (78-75-1) |
化学的特性
1,2-Dibromopropane is considered non-flammable and non-explosive liquid.
安全性と法規制
| GHS 分類 | WarningH226 (91.8%): Flammable liquid and vapor [Warning Flammable liquids]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, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 輸送ラベル（DOT） | Combustible Liquid |
| 火災危険 | This compound is considered non-flammable. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Irritant and narcotic in high conc. |
| 有害性の概要 | Increased liver enzymes in feeding studies of miceSome evidence of mutagenicityEmergency medical treatment: see 2-Bromopropane. [HSDB] High concentrations may have irritating and narcotic effects[CAMEO] A mutagenEffects in high-dose animal studies include fatty liver degeneration and acute renal failure[RTECS] |
| 反応性グループ | Halogenated Organic Compounds |
| Reactivity Profile | Halogenated aliphatic compounds, such as 1,2-DIBROMOPROPANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. This compound is considered nonflammable. (NTP, 1992) |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (91.8%) |
| Critical Temperature and Pressure | Critical temperature = 371 °Ccritical pressure = 3.07X10+4 mm Hg |
| 消火 | This material is considered to be non-flammable. (NTP, 1992) |
| 応急処置 |
用途
使用
1,2-Dibromopropane is used in organic synthesis and solvent. It was used to study the effect of reductant concentration, reductant contact time and suspension pH on reductive dechlorination of carbon tetrachloride by soil manipulated with Fe(II) and HS-. It was used as internal standard during the determination of nitrogenous disinfection byproduct trichloronitromethane by gas chromatography mass spectrometry.
一般的な説明
1,2-dibromopropane is a colorless liquid. Prepared from propyl bromide and Br in the presence of AlCl3 or AlBr3. (NTP, 1992)
製法・合成法
製造方法
1,2-Dibromopropane is synthesized from bromopropane by bromination. First mix bromopropane and iron powder, heat to 40-50°C, slowly add bromine, and continue to reflux for 2h after adding. Then, the iron slag was filtered off, and the filtrate was washed several times with water, once with 5% sodium carbonate solution, and then with 5% sodium thiosulfate solution to remove free bromine. Dry with anhydrous calcium chloride. Fractional distillation, collecting 139-142 ℃ fraction is the finished product of 1,2-dibromopropane.