化工社化工社 化学情報印刷レポート · 研究参考用
2,3-ジニトロフェノール
ψ-ジニトロフェノール · 2,3-ジニトロフェノール · ２·３ジニトロフエノル · 2,3-dnp · Nsc 156083 · 2,3-Dinitrofenol · 2,3-dinitro-pheno · 2,3-DINITROPHENOL
識別子と物理属性
| CAS No. | 66-56-8 |
|---|---|
| 分子式 | C6H4N2O5 |
| 平均分子量 | 184.11 g/mol |
| 単同位体質量 | 184.01202123 g/mol |
| SMILES | O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-] |
| InChIKey | MHKBMNACOMRIAW-UHFFFAOYSA-N |
| PubChem CID | 6191 |
| ChEMBL | CHEMBL3347393 |
| ChEBI | CHEBI:39354 |
| EC No. | 200-628-7 |
| DTXSID | DTXSID2075261 |
| 現地名 | 2,3-ジニトロフェノール |
化学・物理的性質
| XLogP | 1.9 |
|---|---|
| 極性表面積 | 112 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 0 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 220 |
| 密度 | 1.681 @ 20°C1.650 |
| 融点 | 144.5 °C141-145 °C |
| 蒸気圧 | 0.000012 [mmHg] |
| Physical Description | Yellow needles or crystals |
| 沸点 | 329℃ |
| 屈折率 | 1.4738 (estimate) |
| 引火点 | 151℃ |
| 溶解度 | 溶解度 水にやや溶けにくい。エタノール、エーテルに可溶 |
| pKa（酸解離定数） | 4.86, 4.96(at 25℃) |
| 色 | 黄色い針 |
| BRN | 2213580 |
| 主な用途 | バイオセンサー設計、薬物送達 |
| InChI | 1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H |
| InChIKey | MHKBMNACOMRIAW-UHFFFAOYSA-N |
| SMILES | Oc1cccc(c1[N+]([O-])=O)[N+]([O-])=O |
| CAS データベース | 66-56-8 |
| EPAの化学物質情報 | Phenol, 2,3-dinitro- (66-56-8) |
化学的特性
Yellow monoclinic prisms, flammable. Soluble in ether, benzene, and ethanol; slightly soluble in water.
安全性と法規制
| GHS 分類 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]H311: Toxic in contact with skin [Danger Acute toxicity, dermal]H331: Toxic if inhaled [Danger Acute toxicity, inhalation]H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 有害性の概要 | May cause irritation, disruption of oxidative phosphorylation, liver injury, and dermatitisHighly toxic by inhalationToxic by ingestion and skin absorption[Aldrich MSDS] See Dinitrophenol. |
| Hazard Classes and Categories | Acute Tox. 3 (100%)STOT RE 2 (100%)Aquatic Chronic 2 (100%)Acute toxicity - category 3Specific target organ toxicity (repeated exposure) - category 2Hazardous to the aquatic environment (chronic) - category 2Acute Tox. 3 *STOT RE 2 *Aquatic Chronic 2 |
| Protective Action Criteria (PAC) | 1.5 [mg/m3]13 [mg/m3]75 [mg/m3] |
| 有害作用 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effectOther Poison - Uncoupler |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | SL2700000 |
| 輸送番号（UN） | UN 1320 4.1/PG 1 |
| 危険文句（R） |
用途
使用
2,3-Dinitrophenol may be employed as nitrogen supplement for the bacterial culture medium.
一般的な説明
2,3-Dinitrophenol is a nitroaromatic compound. It has been reported to exhibit high acute toxicity to Scenedesmus obliquus, with EC50 value of 2.5±0.8.