化工社化工社 化学情報印刷レポート · 研究参考用
2,5-ジクロロフェノール
2,5-ジクロロフェノール · 3,6-ジクロロフェノール · 2,5-ジクロロフェノール標準品 · ２，５ジクロロフェノル · 2,5-ジクロロフェノ?ル · 2,5‐ジクロロフェノール · 2,5‐ジクロロフェノール標準品 · 2,5-DCP
識別子と物理属性
| CAS No. | 583-78-8 |
|---|---|
| 分子式 | C6H4Cl2O |
| 平均分子量 | 163 g/mol |
| 単同位体質量 | 161.96392011 g/mol |
| SMILES | Oc1cc(Cl)ccc1Cl |
| InChIKey | RANCECPPZPIPNO-UHFFFAOYSA-N |
| PubChem CID | 66 |
| ChEMBL | CHEMBL1565192 |
| ChEBI | CHEBI:27929 |
| EC No. | 209-520-4 |
| DTXSID | DTXSID7025003 |
| 現地名 | 2,5-ジクロロフェノール |
化学・物理的性質
| XLogP | 3.1 |
|---|---|
| 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 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 97.1 |
| 物質分類 | Other Classes -> Chlorophenols |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP（分配係数） | log Kow = 3.063.14 |
| 味 | Taste Threshold in water - 0.5 ug/l. |
| 密度 | Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.001.3446 (rough estimate) |
| Color/Form | Prisms from benzene and petroleum ether |
| 溶解度 | less than 1 mg/mL at 68 °F (NTP, 1992)Very soluble in ethanol, ethyl ethersoluble in benzene, petroleum etherIn water, 2,000 mg/L at 25 °C2 mg/mL at 25 °CSolubility in water, g/100ml: 0.2 (poor)2000mg/l (実験的)3g/L（20℃） |
| 沸点 | 412 °F at 760 mmHg (NTP, 1992)211 °Cat 99.2kPa: 211 °C211 °C (lit.) |
| Decomposition | When heated to decomposition it emits toxic vapors of /hydrogen chloride/. |
| 融点 | 133 to 136 °F (NTP, 1992)59 °C54-57 °C (lit.) |
| 蒸気密度 | Relative vapor density (air = 1): 5.6 |
| 臭気閾値 | In water 33 ug/L at 30 °C.In water 30 ug/L at 20-22 °C. |
| 屈折率 | 1.4430 (estimate) |
| 引火点 | 100 °C |
| 貯蔵条件 | 0-6°C |
| 外観・状態 | クリスタル |
| pKa（酸解離定数） | 7.53±0.10(Predicted) |
| 色 | 白から薄茶色 |
| BRN | 1907692 |
| ヘンリー定数 | 1.6×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H |
| InChIKey | RANCECPPZPIPNO-UHFFFAOYSA-N |
| SMILES | Oc1cc(Cl)ccc1Cl |
| LogP（分配係数） | 3.06 at 20℃ |
| CAS データベース | 583-78-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Phenol, 2,5-dichloro-(583-78-8) |
| EPAの化学物質情報 | 2,5-Dichlorophenol (583-78-8) |
化学的特性
white to light brown crystals
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 1.1% (2 of 186) of reports.DangerH302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 186 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Phenol, 2,5-dichloro-Hazard Traits - Hazard Trait UndefinedHazard Traits - HematotoxicityHepatotoxicity and Digestive System ToxicityNephrotoxicity and Other Toxicity to the Urinary SystemNeurotoxicityPhenol, 2,5-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2,5-dichloro- 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)T - indicates a substance that is the subject of a final TSCA section 4 test rule.Status: Cease Manufacture Update: 18-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/5564 |
| 輸送ラベル（DOT） | Poison |
| 火災危険 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. Prolonged contact can cause damage to the eyes, severe irritation and burns. Exposure to this class of compounds may cause profuse sweating, intense thirst, abdominal pain, nausea, vomiting, diarrhea, cyanosis from methemoglobinemia, hyperactivity, stupor, blood pressure fall, hyperpnea, hemolysis, convulsions, collapse, coma and pulmonary edema followed by pneumonia. If death from respiratory failure is not immediate, jaundice and oliguria or anuria may occur. Other symptoms of exposure to this class of compounds may include headache, dizziness, rapid and difficult breathing, weakness, severe burns and internal damage. Chronic exposure may result in digestive disturbances, nervous disorders, skin eruptions and liver and kidney damage. Skin contact with this type of compound may result in softening and whitening of the skin, followed by the development of painful burns. Prolonged contact may lead to dermatitis. Local contact may also result in painless blanching or erythema and corrosion of the skin. Skin sensitivity reactions occur occasionally. |
用途
用途
有機合成原料。
用途
有機リン酸系の殺虫剤、防かび剤、除草剤、殺卵剤、殺藻剤の原料
使用
2,5-Dichlorophenol is an intermediates in the manufacture of more complex chemical compounds such as fungicides.
一般的な説明
Prisms (from benzene, petroleum ether) or white crystals. Odor threshold 30 μg/L at 68-72°F; 33 μg/L at 86°F. Taste threshold 0.5 μg/L.
製法・合成法
純化方法
Crystallise it from ligroin and sublime it in a vacuum or distil it. [Beilstein 6 IV 942.]