Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,4-Dinitroanisole
Dinitroanisole · -Dinitroanisole · 2,4-Nitroanisole · 2,4-Dinitroanisol · 2,4-DINITROANISOLE · 2,4-dimitroanisole · 2,4-dinitro-anisol · alpha-Dinitroanisole
식별자 및 물리적 특성
| CAS No. | 119-27-7 |
|---|---|
| 분자식 | C7H6N2O5 |
| 평균 분자량 | 198.13 g/mol |
| 단동위원소 질량 | 198.02767129 g/mol |
| SMILES | COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
| InChIKey | CVYZVNVPQRKDLW-UHFFFAOYSA-N |
| PubChem CID | 8385 |
| ChEMBL | CHEMBL167820 |
| ChEBI | CHEBI:84559 |
| EC No. | 204-310-9 |
| DTXSID | DTXSID9041366 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 101 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 233 |
| 물질 분류 | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 1.61 |
| 증기압 | 0.000138 [mmHg]0.001Pa at 25℃ |
| Physical Description | Other SolidTan powder[Sigma-Aldrich MSDS] |
| 녹는점 | 94-96 °C(lit.) |
| 끓는 점 | 207°C/12mm |
| 밀도 | 1.34 g/mL at 25 °C(lit.) |
| 굴절률 | 1.5460 (estimate) |
| 인화점 | 207°C/12mm |
| 용해도 | 뜨거운 메탄올에 대한 용해도거의 투명함. 수용성, 155mg/L 15°C. 에틸 아세테이트 & 아세톤. |
| BRN | 1881474 |
| LogP(분배 계수) | 1.58 at 25℃ |
| NIST | Benzene, 1-methoxy-2,4-dinitro-(119-27-7) |
| EPA | 2,4-Dinitroanisole (119-27-7) |
화학적 성질
yellow crystals or crystalline powder
안전 및 규제
| GHS 분류 | WarningH302 (67.1%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Benzene, 1-methoxy-2,4-dinitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-methoxy-2,4-dinitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/27582 |
| 유해성 요약 | May cause irritationMay induce methemoglobinemiaHarmful by ingestion[Sigma-Aldrich MSDS] See p-Nitroanisole. |
| Hazard Classes and Categories | Acute Tox. 4 (67.1%) |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DA5250000 |
| 독성 | rat,LDLo,oral,100mg/kg (100mg/kg),National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 16, 1953. |
| 위험 문구(R) | 20/21/22-40-22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 7/8-22-36/37/39 |
| 위험 등급 | 6.1 |
용도
용도
It can be used as a dye ingredient. It is one of the insensitive nitroaromatic ingredients increasingly used as a replacement for 2,4,6-trinitrotoluene (TNT) in munitions.
제조 및 합성 방법
생산 방법
2,4-Dinitrochlorobenzene is treated with methanolic sodium hydroxide in a process similar to that described for 4-nitroanisole. 2,4-Dinitrophenetole [610-54-8] is similarly manufactured by using ethanol.