化工社化工社 化学情報印刷レポート · 研究参考用
(アミノオキシ)フェニルメタン
ベンジルオキシアミン · O-ベンジルヒドロキシルアミン · (ベンジルオキシ)アミン · O-(フェニルメチル)ヒドロキシルアミン · (アミノオキシ)フェニルメタン · O‐ベンジルヒドロキシルアミン · O-ベンジルヒドロキシルアミン, 96% · BENZYLOXYAMINE HYDROCHLORIDE
識別子と物理属性
| CAS No. | 622-33-3 |
|---|---|
| 分子式 | C7H9NO |
| 平均分子量 | 123.15 g/mol |
| 単同位体質量 | 123.06841391 g/mol |
| SMILES | NOCc1ccccc1 |
| InChIKey | XYEOALKITRFCJJ-UHFFFAOYSA-N |
| PubChem CID | 102313 |
| ChEMBL | CHEMBL443652 |
| EC No. | 612-969-2 |
| DTXSID | DTXSID8073213 |
| 現地名 | (アミノオキシ)フェニルメタン |
化学・物理的性質
| XLogP | 1.2 |
|---|---|
| 極性表面積 | 35.3 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 2 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 69 |
| Physical Description | Colorless to pale yellow liquid[MSDSonline] |
| 融点 | 238 °C (subl.)(lit.) |
| 沸点 | 110-112 °C (20 mmHg) |
| 密度 | 1,058 g/cm3 |
| 蒸気圧 | 2.09 hPa (58 °C) |
| 屈折率 | 1.5410 |
| 引火点 | 118-119°C/30mm |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Store in freezer, under -20°C |
| 溶解度 | ジメチルスルホキシド、メタノールに可溶。 |
| pKa（酸解離定数） | 4.70±0.70(Predicted) |
| 外観・状態 | 液体 |
| 色 | 無色透明 |
| pH | 8 (47g/l, H2O) |
| BRN | 1906691 |
| InChI | InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2 |
| InChIKey | XYEOALKITRFCJJ-UHFFFAOYSA-N |
| SMILES | NOCC1=CC=CC=C1 |
| EPAの化学物質情報 | Hydroxylamine, O-(phenylmethyl)- (622-33-3) |
化学的特性
Clear colorless liquid
安全性と法規制
| GHS 分類 | DangerH301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]H314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 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 | An irritant[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 3 (86.7%)Skin Corr. 1B (13.3%)Skin Irrit. 2 (86.7%)Eye Irrit. 2 (86.7%)STOT SE 3 (88.9%) |
| F | 3 |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | NC3040000 |
| 輸送番号（UN） | 2735 |
| 税関コード | 2928 00 90 |
| 危険文句（R） | 36/37/38-25 |
| 危険表示 | Xi,T |
| 安全措置（S） | 22-24/25-45-26 |
| 危険等級 | 8Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| 包装等級 | Ⅱ |
| 自然発火温度 | 260 °C DIN 51794 |
| 貯蔵分類 | 6.1C - Combustible, acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
用途
使用
O-benzylhydroxylamine used in the synthesis of alfa- hydroxybenzylamines from alfa-hydroxyketones. It is also involved in the preparation of hydroxylamines and hydroxyamates.