化工社化工社 化学情報印刷レポート · 研究参考用
3-ブロモベンジル アルコール
3-ブロモベンジル アルコール · m-ブロモベンジルアルコール · 3-ブロモベンゼンメタノール · 3-ブロモベンジルアルコール · 3-ブロモベンジルアルコ-ル · 3-ブロモベンジルアルコール 臭化物 · 3-ブロモベンジルアルコール, 99% · (3-ブロモフェニル)メタノール
識別子と物理属性
| CAS No. | 15852-73-0 |
|---|---|
| 分子式 | C7H7BrO |
| 平均分子量 | 187.03 g/mol |
| 単同位体質量 | 185.96803 g/mol |
| SMILES | OCc1cccc(Br)c1 |
| InChIKey | FSWNRRSWFBXQCL-UHFFFAOYSA-N |
| PubChem CID | 85141 |
| ChEMBL | CHEMBL2323842 |
| EC No. | 239-975-4 |
| DTXSID | DTXSID70166440 |
| 現地名 | 3-ブロモベンジル アルコール |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 極性表面積 | 20.2 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 1 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 85 |
| 融点 | 110-112 |
| 沸点 | 165 °C16 mm Hg(lit.) |
| 密度 | 1.56 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.584(lit.) |
| 引火点 | >230 °F |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | Slightly soluble in water |
| 外観・状態 | clear liquid |
| pKa（酸解離定数） | 14.28±0.10(Predicted) |
| 色 | Colorless to Light yellow to Light orange |
| 比重 | 1.560 |
| BRN | 2242512 |
| InChI | InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChIKey | FSWNRRSWFBXQCL-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=CC(Br)=C1 |
| CAS データベース | 15852-73-0(CAS DataBase Reference) |
| NISTの化学物質情報 | 3-Bromobenzyl alcohol(15852-73-0) |
化学的特性
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (60%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).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 | Benzenemethanol, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (20%)Skin Irrit. 2 (60%)Eye Irrit. 2A (60%)STOT SE 3 (60%) |
| 水環境危害等級（WGK） | 3 |
| 税関コード | 29062900 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xi |
| hazard_note | Irritant |
| 安全措置（S） | 24/25 |
| 貯蔵分類 | 10 - Combustible liquids |
用途
用途
有機合成原料。
使用
3-Bromobenzyl alcohol was employed in the preparation of tert-butyl 3-(3-bromophenyl)-2-cyanopropanoate and silyl ether.