Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,3,4-Trichloronitrobenzene
1,2,3-TRICHLORO-4-NITROBENZENE · TIMTEC-BB SBB009919 · Anagrelide Impurity 13 · 2,3,4-TRICHLORONITROBENZENE · 1,2,3-Trichloronitrobenzene · 2,3,4-Trichloroniteobenzene · 4-nitro-1,2,3-trichlorobenze · 4-Nitro-1,2,3-trichlorobenzene
식별자 및 물리적 특성
| CAS No. | 17700-09-3 |
|---|---|
| 분자식 | C6H2Cl3NO2 |
| 평균 분자량 | 226.4 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 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 | Nuclear quadrupole resonance spectroscopy |
| LogP(분배 계수) | 3.54 |
| 용해도 | less than 1 mg/mL at 73 °F (NTP, 1992) |
| 녹는점 | 131 to 133 °F (NTP, 1992)53-56 °C(lit.) |
| 증기압 | 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] |
| 끓는 점 | 296.2±35.0 °C(Predicted) |
| 밀도 | 1.7193 (rough estimate) |
| 굴절률 | 1.6300 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 물리적 상태 | powder to crystal |
| 색상 | White to Light yellow to Green |
| 용해도 | 26.04mg/L(20℃) |
| BRN | 2211951 |
| 헨리 상수 | 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 |
| EPA | 1,2,3-Trichloro-4-nitrobenzene (17700-09-3) |
화학적 성질
white to light yellow crystal powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Flash point data for this compound are not available. It is probably combustible. (NTP, 1992) |
| 건강 유해성 | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| 유해성 요약 | 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] |
| 반응성 그룹 | 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%) |
| 소화 | Fires involving this material can be controlled with 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: 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) |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | DA6612000 |
| 운송 번호(UN) | UN 1578 6.1/PG 2 |
| 독성 | mic-sat 410 mLg/plate MUREAV 116,217,1983 |
| 관세 코드 | 29049095 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-37/39-36/37 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
일반 설명
Needles or light yellow fluffy solid.