Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-Iodo-3-nitrobenzene
1-iodo-3-nitro-benzen · Iodo-3-nitrobenz · 3-Nitroiodobenzene · M-NITROIODOBENZENE · M-IODONITROBENZENE · 3-IODONITROBENZENE · m-Nitrophenyliodide · 3-Nitrophenyl iodide
식별자 및 물리적 특성
| CAS No. | 645-00-1 |
|---|---|
| 분자식 | C6H4INO2 |
| 평균 분자량 | 249.01 g/mol |
| 단동위원소 질량 | 248.92867637 g/mol |
| SMILES | O=[N+]([O-])c1cccc(I)c1 |
| InChIKey | CBYAZOKPJYBCHE-UHFFFAOYSA-N |
| PubChem CID | 12574 |
| ChEMBL | CHEMBL115511 |
| ChEBI | CHEBI:67123 |
| EC No. | 211-427-9 |
| DTXSID | DTXSID5025449 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 45.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 134 |
| 물질 분류 | Nitrogen Compounds -> Nitros, Aromatic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 밀도 | 1.9477 at 122 °F (NTP, 1992) - Denser than waterwill sink |
| 용해도 | less than 1 mg/mL at 66 °F (NTP, 1992) |
| 인화점 | 161 °F (NTP, 1992) |
| 끓는 점 | 536 °F at 760 mmHg (NTP, 1992)280 °C (lit.) |
| 녹는점 | 97 to 100 °F (NTP, 1992)36-38 °C (lit.) |
| 증기압 | 0.00174 [mmHg] |
| Physical Description | Monoclinic prisms or tan solid. (NTP, 1992)Prisms or tan solidmp = 36-38 deg C[CAMEO] |
| 저장 조건 | Refrigerator (+4°C) + Flammables area |
| 물리적 상태 | powder to lump to clear liquid |
| 색상 | 밝은 노란색에서 노란색까지 |
| 용해도 | 불용성 |
| BRN | 1525167 |
| 안정성 | 안정적인. 가연성이 높습니다. 강염기, 강산화제와 호환되지 않습니다. |
| InChI | 1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H |
| InChIKey | CBYAZOKPJYBCHE-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc(I)c1 |
| NIST | m-Iodonitrobenzene(645-00-1) |
| EPA | m-Iodonitrobenzene (645-00-1) |
화학적 성질
yellow to yellow-green powder
안전 및 규제
| GHS 분류 | DangerH228 (89.1%): Flammable solid [Danger Flammable solids]P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 운송 라벨(DOT) | Flammable Solid |
| 화재 위험 | This chemical is combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin and eyes, methemoglobinemia and cyanosis. |
| 유해성 요약 | A skin and eye irritantMay induce methemoglobinemia[NTP] A skin and strong eye irritantHarmful by ingestion and skin absorptionToxic by inhalation[Sigma-Aldrich MSDS] See m-Nitrochlorobenzene. |
| 반응성 그룹 | Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic |
| Reactivity Profile | 1-IODO-3-NITROBENZENE is incompatible with strong bases and strong oxidizers. (NTP, 1992) |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Flam. Sol. 1 (89.1%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (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 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% 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 60-70% 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. |
용도
용도
1-Iodo-3-nitrobenzene was used in the synthesis of 5-substituted pyrrolo[3,2-b]pyridine amide and 3′-nitro-4-methylthiobiphenyl. It was used in palladium(0) catalyzed cross-coupling reaction between heteroarylzinc iodide and unsaturated iodide.
일반 설명
Monoclinic prisms or tan solid.