1-ニトロプロパン
1-ニトロプロパン · 1ニトロプロパン · 1‐ニトロプロパン · 1-NP · ai3-02264 · n-C3H7NO2 · 1-Nitropro · 1-Nitropan

識別子と物理属性
| CAS No. | 108-03-2 |
|---|---|
| 分子式 | C3H7NO2 |
| 平均分子量 | 89.09 g/mol |
| 単同位体質量 | 89.04767846 g/mol |
| SMILES | CCC[N+](=O)[O-] |
| InChIKey | JSZOAYXJRCEYSX-UHFFFAOYSA-N |
| PubChem CID | 7903 |
| ChEMBL | CHEMBL1449933 |
| ChEBI | CHEBI:76261 |
| EC No. | 203-544-9 |
| DTXSID | DTXSID1020980 |
| 現地名 | 1-ニトロプロパン |
化学・物理的性質
| XLogP | 0.9 |
|---|---|
| 極性表面積 | 45.8 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 6 |
| 形式電荷 | 0 |
| 複雑度 | 47.2 |
| 物質分類 | Nitrogen Compounds -> Nitros, AliphaticFlammable agents - 3rd degree |
| pH | pH = 6.0 for a 0.01 M aqueous solution at 25 °C6.0 (0.9g/l, H2O, 20℃) |
| SpringerMaterials Properties | Boiling point |
| LogP(分配係数) | log Kow = 0.87 |
| 臭い | Somewhat disagreeable odorMild, fruity odor |
| 密度 | 0.9934 at 77 °F (USCG, 1999) - Less dense than waterwill float0.9961 g/cu cm at 25 °CRelative density (water = 1): 0.990.9961 @25 °C1.000.998 g/mL at 25 °C(lit.) |
| Viscosity | 0.790 cP at 25 °C |
| Color/Form | LiquidColorless liquid |
| 溶解度 | Slightly soluble (NTP, 1992)In water, 1.50X10+4 mg/L at 25 °CSlightly soluble in water (1.4 mL/100 mL)Slightly soluble in waterMiscible with ethanol, ethyl ethersoluble in chloroformSolubility in water, g/100ml: 1.414g/リットル1.40g/100mL |
| 引火点 | 93 °F (NTP, 1992)36 °C36 °C, 96 °F (closed cup)93 °F (34 °C) - open cup120 °F open cup (commercial grade) |
| 沸点 | 270 °F at 760 mmHg (NTP, 1992)131.2 °C132 °C269 °F131.1 °C @760 [mm Hg] |
| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides, nitrogen oxides (NOx).When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| 融点 | -108 °C |
| 蒸気密度 | 3.1 (vs air) |
| 蒸気圧 | 7.5 mm Hg ( 20 °C) |
| 屈折率 | n20/D 1.401(lit.) |
| 貯蔵条件 | Store below +30°C. |
| 外観・状態 | 液体 |
| pKa(酸解離定数) | pK1:8.98 (25°C) |
| 色 | クリア |
| 爆発限界 | 2.2-11.0%(V) |
| 比熱容量 | Cp(gas): 1.17 J/(g·K), at 25℃ |
| Merck | 14,6626 |
| BRN | 506236 |
| ヘンリー定数 | 6.11 at 25 °C (static headspace-GC, Welke et al., 1998) |
| 誘電率 | 23.239999999999998 |
| 安定性 | 安定。可燃性。強塩基、強酸化剤とは相容れない。 |
| 化粧品成分の機能 | 溶媒 |
| InChI | 1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 |
| InChIKey | JSZOAYXJRCEYSX-UHFFFAOYSA-N |
| SMILES | CCC[N+]([O-])=O |
| LogP(分配係数) | 0.79 at 22℃ |
| 表面張力 | 29.4mN/m at 20°C |
| CAS データベース | 108-03-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Propane, 1-nitro-(108-03-2) |
| EPAの化学物質情報 | 1-Nitropropane (108-03-2) |
化学的特性
Colorless liquid.Soluble in water 1.4 mL/100 mL (20C); solubility of water in 1-nitropropane 0.5 cc/100 cc (20C).
安全性と法規制
| GHS 分類 | WarningH226: Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: Propane, 1-nitro-Propane, 1-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propane, 1-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 20-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/11705Propane, 1-nitro-: HSNO Approval: HSR001078 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) | Flammable Liquid |
| 火災危険 | Special Hazards of Combustion Products: Combustion products include toxic oxides of nitrogen along with carbon monoxide.Flammable. Above 36 °C explosive vapour/air mixtures may be formed. |
| 火災の可能性 | Flammable, moderate fire risk ... .Very dangerous fire hazard when exposed to heat, open flame or oxidizers. |
| 健康有害性 | Inhalation causes headache, dizziness, nausea, vomiting, diarrhea, restlessness, muscular uncoordination and irritation of the respiratory tract. Contact causes irritation of the eyes and skin. Ingestion may cause headache, dizziness, nausea, vomiting, restlessness and muscular uncoordination. (USCG, 1999) |
| 有害性の概要 | A hepatotoxin in animals after oral administration or inhalation[ACGIH] An eye and respiratory tract irritant[ICSC] Volunteers tolerated 100 ppm for 8 hours |
用途
用途
溶剤、合成中間体
用途
溶剤、有機合成原料。
解説
ニトロプロパン, 1-ニトロプロパン 化学式 CH3(CH2)2NO2 。無色の液体,沸点 131.6℃。酢酸セルロース,ビニル系樹脂などの溶剤として用いられる
説明
1-Nitropropane (1-NP), a representative small nitro-alkane, is widely used as an industrial solvent and a fuel additive in automobiles and aircraft engines. The improvement effects of 1-NP on fuel combustion demonstrate that 1-NP served as an initiator can rapidly produce a large number of reactive radicals, which significantly increases the fuel conversion rate. In addition, among the small nitro-alkanes, the molecular structure of 1-NP endows it with a higher specific impulse. It provides the possibilities for its application as propellant in long-range rocket systems[1].
使用
The solvent of 1-Nitropropane is mainly used coatings, inks and separation processes.
製法・合成法
調製方法
1-Nitropropane is produced by vapor-phase nitration of propane with nitric acid (Baker and Bollmeier 1978) or by the vapor-phase nitration of butanol (HSDB 1988).
純化方法
Purify it as for nitromethane. [Beilstein 1 IV 229.]