化工社化工社 化学情報印刷レポート · 研究参考用
3,4-ジクロロベンゾトリクロリド
3,4-ジクロロベンゾトリクロリド · 1-(トリクロロメチル)-3,4-ジクロロベンゼン · 1,2-ジクロロ-4-(トリクロロメチル)ベンゼン · 3，4ジクロロベンゾトリクロライド · α,α,α,3,4-ペンタクロロトルエン · 3,4-DCTC · PENTACHLOROTOLUENE · α,α,α,3,4-pentachlorotoluene
識別子と物理属性
| CAS No. | 13014-24-9 |
|---|---|
| 分子式 | C7H3Cl5 |
| 平均分子量 | 264.4 g/mol |
| 単同位体質量 | 261.8677385 g/mol |
| SMILES | Clc1ccc(C(Cl)(Cl)Cl)cc1Cl |
| InChIKey | ATYLRBXENHNROH-UHFFFAOYSA-N |
| PubChem CID | 25608 |
| ChEMBL | CHEMBL1567313 |
| EC No. | 235-869-7 |
| DTXSID | DTXSID2025840 |
| 現地名 | 3,4-ジクロロベンゾトリクロリド |
化学・物理的性質
| XLogP | 5.3 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 0 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 152 |
| SpringerMaterials Properties | Boiling point |
| 密度 | 1.591 at 68 °F (NTP, 1992) - Denser than waterwill sink1.576 g/mL at 25 °C(lit.) |
| 溶解度 | less than 1 mg/mL at 70 °F (NTP, 1992) |
| 引火点 | greater than 200 °F (NTP, 1992)>230 °F |
| 沸点 | 541.6 °F at 760 mmHg (NTP, 1992)283.15°C |
| 融点 | 78.4 °F (NTP, 1992)25.8°C |
| 蒸気圧 | 2 mmHg at 77 °F7 mmHg at 122 °F12 mmHg at 158 °F (NTP, 1992)1.333hPa at 15-50℃ |
| Physical Description | 3,4,alpha,alpha,alpha-pentachlorotoluene is a slightly opaque pale yellow liquid. (NTP, 1992) |
| 屈折率 | n20/D >1.5890(lit.) |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| 外観・状態 | powder to lump to clear liquid |
| 色 | White or Colorless to Almost white or Almost colorless |
| LogP（分配係数） | 5.18 at 25℃ |
| CAS データベース | 13014-24-9(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzene, 1,2-dichloro-4-(trichloromethyl)-(13014-24-9) |
| EPAの化学物質情報 | 3,4-Dichlorobenzotrichloride (13014-24-9) |
安全性と法規制
| GHS 分類 | DangerH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Benzene, 1,2-dichloro-4-(trichloromethyl)-Status: Active Update: 14-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31917 |
| 輸送ラベル（DOT） | Corrosive |
| 火災危険 | This chemical is probably combustible. (NTP, 1992) |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound may include skin and eye irritation. (NTP, 1992) |
| 反応性グループ | Halogenated Organic Compounds |
| Reactivity Profile | Simple aromatic halogenated organic compounds, such as 3,4,ALPHA,ALPHA,ALPHA-PENTACHLOROTOLUENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| Air and Water Reactions | This chemical may be sensitive to moisture. Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (75%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
用途
一般的な説明
Slightly opaque pale yellow liquid.