Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,4,5-트리클로로니트로벤젠
2,4,5-트리클로로니트로벤젠 · 2,4,5-TRICHLORONITROBENZENE · 2,4,5-Trichloronitro · Bifeprunox Impurity 52 · 3,4,6-trichloronitrobenzene · 2,3-DICHLOROANISOLE PESTANAL · 2,4,5-trichloro-1-nitrobenzene · 1,2,4-trichloro-5-nitro-benzen
식별자 및 물리적 특성
| CAS No. | 89-69-0 |
|---|---|
| 분자식 | C6H2Cl3NO2 |
| 평균 분자량 | 226.4 g/mol |
| 단동위원소 질량 | 224.91511134 g/mol |
| SMILES | O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl |
| InChIKey | IBRBMZRLVYKVRF-UHFFFAOYSA-N |
| PubChem CID | 6983 |
| ChEMBL | CHEMBL1323107 |
| EC No. | 201-931-7 |
| DTXSID | DTXSID5026203 |
| 현지명 | 2,4,5-트리클로로니트로벤젠 |
화학 및 물리적 성질
| XLogP | 3.5 |
|---|---|
| 극성 표면적 | 45.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 184 |
| 물질 분류 | Nitrogen Compounds -> Nitros, Aromatic |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | 3.48 |
| 밀도 | 1.79 at 73 °F (NTP, 1992) - Denser than waterwill sink |
| 용해도 | less than 1 mg/mL at 61 °F (NTP, 1992) |
| 인화점 | greater than 230 °F (NTP, 1992)170 °C |
| 끓는 점 | 550 °F at 760 mmHg (NTP, 1992)208 °C @760 [mm Hg]288 °C |
| 녹는점 | 135 to 136 °F (NTP, 1992)57 °C52-57 °C |
| 증기압 | 0.000792 [mmHg] |
| Physical Description | Prisms or needles in alcoholyellow powder. (NTP, 1992)Yellow solid[CAMEO] Light yellow solid[Sigma-Aldrich MSDS] |
| 굴절률 | 1.6300 (estimate) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | powder to crystal |
| 색상 | EtOH 또는 CS2에서 결정화된 프리즘 결정 |
| 용해도 | 27mg/L(20℃) |
| NIST | Benzene, 1,2,4-trichloro-5-nitro-(89-69-0) |
| EPA | 2,4,5-Trichloronitrobenzene (89-69-0) |
화학적 성질
white to light yellow crystal powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 48.1% (37 of 77) of reports.DangerH301 (49.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule. |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | This chemical is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Exposure to this compound may cause eye and skin irritation. Absorption into the body leads to the formation of methemoglobin which in sufficient concentration causes cyanosis. |
| 유해성 요약 | An irritantMay induce methemoglobinemia[NTP] May cause irritationToxic by ingestionHarmful by inhalation and skin absorption[Sigma-Aldrich MSDS] See Pentachloronitrobenzene and 2,3,4,5-Tetrachloronitrobenzene. |
| 반응성 그룹 | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Profile | 2,4,5-TRICHLORONITROBENZENE is incompatible with strong bases and strong oxidizing agents. (NTP, 1992). |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 3 (49.4%) |
| 소화 | Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | 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. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone 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)]: |
| Protective Action Criteria (PAC) | 2.3 [mg/m3]25 [mg/m3]150 [mg/m3] |
| 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) |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DC2275000 |
| 운송 번호(UN) | 3077 |
| 독성 | LDLo orl-mus: 1070 mg/kg AECTCV 14,111,85 |
| 관세 코드 | 29392900 |
| 위험 문구(R) | 50/53-20/21/22 |
| 위험 표시 | N-Xn,N,Xn |
| 안전 문구(S) | 61-60-36/37-28-25 |
| 포장분류 | III |
| 위험 등급 | 6.1(b) |
| 위험 참고 사항 | Harmful |
용도
용도
2,4,5-Trichloronitrobenzene, is one of the by-products of Lindane (L465990) production, that can be used for agricultural crop protection. It is also used as an intermediate for the synthesis of various chemical compounds, such as a new class of 1H-benzimidazolecarboxamidines, acting as antibacterial and antifungal agents.
일반 설명
Prisms or needles in alcohol; yellow powder.