化工社化工社 化学情報印刷レポート · 研究参考用
2,3-ジブロモプロペン
2,3-ジブロモプロペン · 2-ブロモアリルブロミド · 2-ブロモ-2-プロペニルブロミド · 2,3-ジブロモ-1-プロペン · 2,3-ジブロモ1-プロペン · 2,3-ジブロモ-1-プロペン(安定剤 銅) · 2,3-ジブロモプロペン, TECH GRADE · DibroMopropene
識別子と物理属性
| CAS No. | 513-31-5 |
|---|---|
| 分子式 | C3H4Br2 |
| 平均分子量 | 199.87 g/mol |
| 単同位体質量 | 197.86798 g/mol |
| SMILES | C=C(Br)CBr |
| InChIKey | YMFWYDYJHRGGPF-UHFFFAOYSA-N |
| PubChem CID | 10552 |
| EC No. | 208-155-8 |
| DTXSID | DTXSID9060152 |
| 現地名 | 2,3-ジブロモプロペン |
化学・物理的性質
| XLogP | 2.1 |
|---|---|
| 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 | 40 |
| 蒸気圧 | 7.58 [mmHg] |
| Physical Description | Liquid[Merck Index] Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Kovats Retention Index | 852.8 |
| 沸点 | 42-44 °C17 mm Hg(lit.) |
| 密度 | 1.934 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.544(lit.) |
| 引火点 | 178 °F |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| 外観・状態 | 液体 |
| 色 | クリアライトイエロー～ブラウン |
| 溶解度 | 不溶性 |
| Merck | 14,3025 |
| BRN | 878169 |
| InChI | 1S/C3H4Br2/c1-3(5)2-4/h1-2H2 |
| InChIKey | YMFWYDYJHRGGPF-UHFFFAOYSA-N |
| SMILES | BrCC(Br)=C |
| CAS データベース | 513-31-5(CAS DataBase Reference) |
| NISTの化学物質情報 | 1-Propene, 2,3-dibromo-(513-31-5) |
| EPAの化学物質情報 | 1-Propene, 2,3-dibromo- (513-31-5) |
化学的特性
clear light yellow to brown liquid
安全性と法規制
| GHS 分類 | DangerH302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (93.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (10.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 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. |
|---|---|
| 有害性の概要 | Intravenous LD50 (mouse) = 100 mg/kg[RTECS] An irritant that may cause serious eye injuryA lachrymatorHarmful by ingestion and inhalation[Sigma-Aldrich MSDS] See 2-Bromo-1-propene, 1-Bromo-1-propene, and Allyl bromide. |
| Hazard Classes and Categories | Acute Tox. 4 (89.1%)Skin Irrit. 2 (13%)Eye Dam. 1 (93.5%)STOT SE 3 (10.9%) |
| 有害作用 | Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
| F | 10-23 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | UC8200000 |
| 輸送番号（UN） | 2810 |
| 税関コード | 29033036 |
用途
使用
2,3-Dibromopropene was used to test 2- and 3-carbon halogenated hydrocarbons for mutagenicity for Salmonella typhimurium strain TA 100 . It was used in the synthesis of N(Boc)-L-(2-Bromoallyl)-glycine.
一般的な説明
2,3-Dibromopropene is an intermediate formed during the hydrolysis of nematocide:1,2-dibromo-3-chloropropane.