化工社化工社 化学情報印刷レポート · 研究参考用
2,3,4-トリクロロニトロベンゼン
2,3,4-トリクロロニトロベンゼン · 1-ニトロ-2,3,4-トリクロロベンゼン · 1,2,3-トリクロロ-4-ニトロベンゼン · 2,3,4-トリクロロ-1-ニトロベンゼン · 2,3,4-トリクロロニトロベンゼン STANDARD · 2,3,4-トリクロロニトロベンゼン Standard, 100 µg/mL in Toluene · 2,3,4-トリクロロニトロベンゼン, 97% · 1,2,3-トリクロロ-4-ニトロ-ベンゼン
識別子と物理属性
| CAS No. | 17700-09-3 |
|---|---|
| 分子式 | C6H2Cl3NO2 |
| 平均分子量 | 226.4 g/mol |
| 単同位体質量 | 224.91511134 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl |
| InChIKey | BGKIECJVXXHLDP-UHFFFAOYSA-N |
| PubChem CID | 28697 |
| ChEMBL | CHEMBL354330 |
| EC No. | 241-705-5 |
| DTXSID | DTXSID0026202 |
| 現地名 | 2,3,4-トリクロロニトロベンゼン |
化学・物理的性質
| XLogP | 3.6 |
|---|---|
| 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 | 0 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 184 |
| 物質分類 | Nitrogen Compounds -> Nitros, Aromatic |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP（分配係数） | 3.54 |
| 溶解度 | less than 1 mg/mL at 73 °F (NTP, 1992)26.04mg/L(20℃) |
| 融点 | 131 to 133 °F (NTP, 1992)53-56 °C(lit.) |
| 蒸気圧 | 0.000792 [mmHg] |
| Physical Description | 2,3,4-trichloronitrobenzene appears as needles or light yellow fluffy solid. (NTP, 1992)Light yellow solid[NTP] Light yellow powder[Sigma-Aldrich MSDS] |
| 沸点 | 296.2±35.0 °C(Predicted) |
| 密度 | 1.7193 (rough estimate) |
| 屈折率 | 1.6300 (estimate) |
| 引火点 | >230 °F |
| 貯蔵条件 | 2-8°C |
| 外観・状態 | powder to crystal |
| 色 | White to Light yellow to Green |
| BRN | 2211951 |
| ヘンリー定数 | 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H |
| InChIKey | BGKIECJVXXHLDP-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=C([N+]([O-])=O)C(Cl)=C1Cl |
| CAS データベース | 17700-09-3(CAS DataBase Reference) |
| EPAの化学物質情報 | 1,2,3-Trichloro-4-nitrobenzene (17700-09-3) |
化学的特性
white to light yellow crystal powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 45.7% (37 of 81) of reports.WarningH302 (54.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 81 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 輸送ラベル（DOT） | Poison |
| 火災危険 | Flash point data for this compound are not available. It is probably combustible. (NTP, 1992) |
| 健康有害性 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 有害性の概要 | A skin and eye irritantMay induce methemoglobinemiaReadily absorbed through skin[IUCLID] A skin and strong eye irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] |
| 反応性グループ | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Profile | 2,3,4-TRICHLORONITROBENZENE is incompatible with strong bases and strong oxidizing agents. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (54.3%) |
| 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. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 有害作用 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | DA6612000 |
| 輸送番号（UN） | UN 1578 6.1/PG 2 |
| 毒性 | mic-sat 410 mLg/plate MUREAV 116,217,1983 |
| 税関コード | 29049095 |
| 危険文句（R） | 20/21/22-36/37/38 |
| 危険表示 | Xn |
| 安全措置（S） | 26-37/39-36/37 |
| 危険等級 | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
用途
一般的な説明
Needles or light yellow fluffy solid.