化工社化工社 化学情報印刷レポート · 研究参考用
ジヘキシルアミン
ジヘキシルアミン · N-ヘキシル-1-ヘキサンアミン · ジ-N-ヘキシルアミン · ジ‐N‐ヘキシルアミン · DIHEXYLAMINE · NSC 7498 · Dihexylamin · Di-n-hexylamin
識別子と物理属性
| CAS No. | 143-16-8 |
|---|---|
| 分子式 | C12H27N |
| 平均分子量 | 185.35 g/mol |
| 単同位体質量 | 185.21434986 g/mol |
| SMILES | CCCCCCNCCCCCC |
| InChIKey | PXSXRABJBXYMFT-UHFFFAOYSA-N |
| PubChem CID | 8920 |
| ChEMBL | CHEMBL3188279 |
| EC No. | 205-588-4 |
| DTXSID | DTXSID1022009 |
| 現地名 | ジヘキシルアミン |
化学・物理的性質
| XLogP | 4.5 |
|---|---|
| 極性表面積 | 12 |
| 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 | 10 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 71.2 |
| 物質分類 | Nitrogen Compounds -> Amines, AliphaticFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| 密度 | 0.79 at 68 °F (NTP, 1992) - Less dense than waterwill float0.795 g/mL at 25 °C(lit.) |
| 溶解度 | less than 1 mg/mL at 79 °F (NTP, 1992)0.3g/l水と混和します。 |
| 引火点 | 203 °F (NTP, 1992) |
| 沸点 | 451 to 469 °F at 760 mmHg (NTP, 1992)192-195 °C(lit.) |
| 蒸気密度 | 6.38 (NTP, 1992) - Heavier than airwill sink (Relative to Air)6.4 (vs air) |
| 蒸気圧 | less than 0.1 mmHg at 68 °F (NTP, 1992)0.05 hPa (20 °C) |
| Physical Description | Dihexylamine is a clear colorless liquid. (NTP, 1992)[CAMEO] Clear light yellow liquid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 158.0 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID1022009] |
| 融点 | 3 °C |
| 屈折率 | n20/D 1.432(lit.) |
| 貯蔵条件 | Store below +30°C. |
| pKa（酸解離定数） | pK1:11.0(+1) (25°C) |
| 外観・状態 | 液体 |
| 色 | 無色透明 |
| pH | 9.9 (0.3g/l, H2O, 25℃) |
| 爆発限界 | 0.7-5.9%(V) |
| Merck | 14,7650 |
| BRN | 1738519 |
| ヘンリー定数 | 1.3×10-1 mol/(m3Pa) at 25℃, Yaws (2003) |
| 安定性 | 安定。可燃性。強力な酸化剤とは相容れない。 |
| InChI | 1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3 |
| InChIKey | PXSXRABJBXYMFT-UHFFFAOYSA-N |
| SMILES | CCCCCCNCCCCCC |
| CAS データベース | 143-16-8(CAS DataBase Reference) |
| EPAの化学物質情報 | Dihexylamine (143-16-8) |
化学的特性
colourless liquid
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 0.7% (1 of 151) of reports.DangerH300 (72.2%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 151 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: 1-Hexanamine, N-hexyl-Dihexylamine: HSNO Approval: HSR004442 Approved with controlsThe 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） | Poison |
| 火災危険 | This compound is combustible. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: This compound is readily absorbed through the skin. (NTP, 1992) |
| 有害性の概要 | A severe eye and mild skin irritant[RTECS] Readily absorbed through skin[NTP] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by ingestionHighly toxic by skin absorption[Sigma-Aldrich MSDS] See 2-Ethylhexylamine. |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| Reactivity Profile | DIHEXYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | This compound may be sensitive to prolonged exposure to air. Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 2 (72.2%) |
用途
使用
Di-n-hexylamine is used in organic synthesis and involved in the preparation of succinic acid.
一般的な説明
Clear colorless liquid.