Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-Methyl-2-nitroanisole
NSC 124451 · 2-Nitro-5-methylanisole · 3-Methyl-6-nitroanisole · 5-METHYL-2-NITROANISOLE · 4-NITRO-3-METHOXYTOLUENE · 3-methoxy-4-nitrotoluene · 5-Methyl-2-nitroanisole 99% · 2-Nitro-5-Methylbenzyl Ether
식별자 및 물리적 특성
| CAS No. | 38512-82-2 |
|---|---|
| 분자식 | C8H9NO3 |
| 평균 분자량 | 167.16 g/mol |
| 단동위원소 질량 | 167.05824315 g/mol |
| SMILES | COc1cc(C)ccc1[N+](=O)[O-] |
| InChIKey | XCOUVPWGTSKINY-UHFFFAOYSA-N |
| PubChem CID | 97455 |
| EC No. | 253-975-1 |
| DTXSID | DTXSID80191844 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 55.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 166 |
| 녹는점 | 58-60 °C(lit.) |
| 끓는 점 | 153 °C(Press: 12 Torr) |
| 밀도 | 1.180±0.06 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | solid |
| BRN | 2092369 |
| InChI | 1S/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3 |
| InChIKey | XCOUVPWGTSKINY-UHFFFAOYSA-N |
| SMILES | COc1cc(C)ccc1[N+]([O-])=O |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Eye Irrit. 2A (97.5%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 2909309090 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
5-Methyl-2-nitroanisole may be used in chemical synthesis.