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2,3,5-トリクロロフェノール
2,3,5-トリクロロフェノール · 3,5,6-トリクロロフェノール · 2,3,5-トリクロロフェノール標準品 · 2,3,5‐トリクロロフェノール標準品 · 2,3,5-トリクロロフェノール STANDARD · 2,3,5-トリクロロフェノール 溶液 · 2,3,5-トリクロロフェノール Standard, 5.0 mg/mL in MeOH · 2,3,5-TCP
識別子と物理属性
| CAS No. | 933-78-8 |
|---|---|
| 分子式 | C6H3Cl3O |
| 平均分子量 | 197.4 g/mol |
| 単同位体質量 | 195.92494776 g/mol |
| SMILES | Oc1cc(Cl)cc(Cl)c1Cl |
| InChIKey | WWGQHTJIFOQAOC-UHFFFAOYSA-N |
| PubChem CID | 13619 |
| ChEMBL | CHEMBL1569358 |
| EC No. | 213-272-2 |
| DTXSID | DTXSID0026208 |
| 現地名 | 2,3,5-トリクロロフェノール |
化学・物理的性質
| XLogP | 3.6 |
|---|---|
| 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 | 10 |
| 形式電荷 | 0 |
| 複雑度 | 120 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP（分配係数） | 3.83.84 |
| 溶解度 | less than 1 mg/mL at 61 °F (NTP, 1992)Solubility in water: poorクロロホルム（微量）、メタノール（微量、加温）771mg/L(25℃) |
| 沸点 | 478 to 480 °F at 760 mmHg (NTP, 1992)248-253 °C248-249 °C |
| 融点 | 135 to 138 °F (NTP, 1992)62 °C57-60 °C |
| 蒸気密度 | Relative vapor density (air = 1): 6.8 |
| Physical Description | Long colorless needles or white chalky solid. (NTP, 1992)COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR. |
| 密度 | 1.5701 (rough estimate) |
| 屈折率 | 1.5300 (estimate) |
| 引火点 | 2 °C |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | 結晶 |
| pKa（酸解離定数） | 6.57±0.15(Predicted) |
| 色 | ホワイトからオフホワイト |
| BRN | 2046862 |
| ヘンリー定数 | 2.5×100 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| InChI | InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H |
| InChIKey | WWGQHTJIFOQAOC-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(Cl)=CC(Cl)=C1Cl |
| CAS データベース | 933-78-8(CAS DataBase Reference) |
| EPAの化学物質情報 | 2,3,5-Trichlorophenol (933-78-8) |
化学的特性
white chunks
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Phenol, 2,3,5-trichloro-: Does not have an individual approval but may be used under an appropriate group standardThe 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 | Flash point data for this chemical are not availablehowever, 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 include painless blanching or erythema, vomiting, collapse, coma, profuse sweating, intense thirst, nausea, diarrhea, cyanosis, hyperactivity, stupor, blood pressure fall, hyperpnea, abdominal pain, hemolysis, convulsions and pulmonary edema followed by pneumonia. Other symptoms include irritation of the skin with redness and edema, burns, irritation of the eyes, nose and pharynx, and corneal injury. Exposure can cause irritation of the mucous membranes and respiratory tract, and severe destruction of tissue (depending on the intensity and duration of exposure). Symptoms of exposure to a related compound include softening and whitening of the skin followed by the development of painful burns, headache, dizziness, rapid and difficult breathing and weakness. Ingestion of a related compound causes severe burns and internal damage. Chronic exposure may cause digestive disturbances, nervous disorders, skin eruptions, dermatitis, liver damage and kidney damage. Skin contact may result in redness, edema and burns. Eye contact may cause irritation and corneal injury. |
| 反応性グループ | Phenols and Cresols |
| UN 分類 | UN Hazard Class: 6.1UN Pack Group: III |
用途
使用
2,3,5-Trichlorophenol is a halogenated phenol with possible toxic effects.
一般的な説明
Long colorless needles or white chalky solid.