Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-나이트로아니솔
4-나이트로아니솔 · 1-메톡시-4-나이트로벤젠 · 4-나이트로-1-메톡시벤젠 · 4-메톡시-1-나이트로벤젠 · 4-메톡시나이트로벤젠 · p-나이트로아니솔 · 벤젠, 1-메톡시-4-나이트로- · 1-METHOXY-4-NITROBENZENE
식별자 및 물리적 특성
| CAS No. | 100-17-4 |
|---|---|
| 분자식 | C7H7NO3 |
| 평균 분자량 | 153.14 g/mol |
| 단동위원소 질량 | 153.04259308 g/mol |
| SMILES | COc1ccc([N+](=O)[O-])cc1 |
| InChIKey | BNUHAJGCKIQFGE-UHFFFAOYSA-N |
| PubChem CID | 7485 |
| ChEMBL | CHEMBL57537 |
| ChEBI | CHEBI:1911 |
| EC No. | 202-825-3 |
| DTXSID | DTXSID9059208 |
| 현지명 | 4-나이트로아니솔 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 55.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 135 |
| 물질 분류 | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 2.05 |
| 증기압 | 0.01 [mmHg] |
| Physical Description | Solid[Merck Index] Beige crystalline solid[Sigma-Aldrich MSDS] |
| 녹는점 | 51-53 °C |
| 끓는 점 | 260 °C |
| 밀도 | 1.233 g/mL at 25 °C(lit.) |
| 굴절률 | 1.5030 (estimate) |
| 인화점 | 130 °C |
| 물리적 상태 | 크리스탈 |
| 비중 | 1.233 |
| 색상 | 녹색에서 갈색으로 |
| 용해도 | 0.468g/L(20℃) |
| Merck | 14,6584 |
| BRN | 1865361 |
| 헨리 상수 | 5.0×100 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| 유전율 | 24.0(20℃) |
| 안정성 | 안정적인. 강한 산화제, 강한 염기와 호환되지 않습니다. |
| InChI | 1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3 |
| InChIKey | BNUHAJGCKIQFGE-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1)[N+]([O-])=O |
| NIST | Benzene, 1-methoxy-4-nitro-(100-17-4) |
| EPA | p-Nitroanisole (100-17-4) |
화학적 성질
beige crystalline solid. soluble in alcohol, ether and boiling petroleum ether, slightly soluble in cold petroleum ether, insoluble in water.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 25% (3 of 12) of reports.WarningH341 (66.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger |
|---|---|
| 규제 정보 | Chemical: Benzene, 1-methoxy-4-nitro-Hazard Traits - Carcinogenicity |
| 기타 안전 정보 | Evaluation - Benzene, 1-methoxy-4-nitro- |
| 유해성 요약 | Causes fatty liver degeneration in oral lethal-dose studies of mice[RTECS] A strong oxidizing agentMay cause skin, eye, and mucous membrane irritation[CAMEO] May cause irritationMay induce methemoglobinemia[Sigma-Aldrich MSDS] See o-Nitroanisole. |
| DOT Hazard Classification | Nitroanisole, liquidUN2730Div 6.1 Poisonous materials (49 eCFR § 173.132)PG III: the degree of danger presented by the material is minor |
| Hazard Classes and Categories | Muta. 2 (66.7%)Self-reactive substances and mixtures - Type GCarcinogenicity - Category 1B |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Carcinogen Classification | para-NitroanisoleGroup 2B: Possibly carcinogenic to humansVolume 123: (2020) Some Nitrobenzenes and Other Industrial Chemicals2020 online2018 |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BZ8800000 |
| 운송 번호(UN) | UN 3458 6.1/PG III (NITROANISOLES, SOLID) |
| 관세 코드 | 29093090 |
| 위험 문구(R) | 52/53-68 |
| 위험 표시 | Xn |
| 안전 문구(S) | 61-36/37 |
| 포장분류 | III |
| 위험 등급 | 6.1Aquatic Chronic 3Carc. 2 |
| 기존화학 물질 | KE-23338 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
4-Nitroanisole is an intermediate in the manufacture of azo dyes. A toxic organic pollutant and a risk factor for urinary bladder cancer in humans.
일반 설명
A light red or amber-colored liquid or crystals. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
제조 및 합성 방법
제조 방법
Produced from p-nitrochlorobenzene by methoxylation.