Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-Methoxybenzene-1,2-diamine dihydrochloride
3,4-DIAMINANISOLEHCL · 4-Methoxy-2-amino-aniline HCl · 3,4-DIAMINANISOLE HYDROCHORIDE · 4-Methoxy-o-phenylenediamine2HCl · 3,4-DIAMINOANISOLE DIHYDROCHLORIDE · Omeprazole Impurity 22(Dihydrochloride) · 4-Methoxy-1,2-benzenediamine hydrochloride · 3,4-DiaMinoanisole dihydrochloride, 98% 1GR

식별자 및 물리적 특성
| CAS No. | 59548-39-9 |
|---|---|
| 분자식 | C7H12Cl2N2O |
| 평균 분자량 | 211.09 g/mol |
| 단동위원소 질량 | 210.03266836 g/mol |
| SMILES | COc1ccc(N)c(N)c1.Cl.Cl |
| InChIKey | SXCHMHOBHJOXGC-UHFFFAOYSA-N |
| PubChem CID | 3085161 |
| EC No. | 261-801-0 |
| DTXSID | DTXSID80208229 |
화학 및 물리적 성질
| 극성 표면적 | 61.3 |
|---|---|
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 108 |
| 녹는점 | 206-209 °C (dec.)(lit.) |
| 저장 조건 | 2-8°C |
| 색상 | Pink |
| 용해도 | 물에 용해됩니다. |
| BRN | 3699636 |
| InChI | 1S/C7H10N2O.2ClH/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H32*1H |
| InChIKey | SXCHMHOBHJOXGC-UHFFFAOYSA-N |
| SMILES | Cl.Cl.COc1ccc(N)c(N)c1 |
안전 및 규제
| GHS 분류 | WarningH302 (13.3%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (13.3%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | 2811 |
| 관세 코드 | 29222900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| F 고인화성물질 | 3-10 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
4-Methoxy-o-phenylenediamine is widely used as an intermediate in organic synthesis and pharmaceuticals. It is an important precursor for the synthesis of other heterocyclic compounds. It is used in the determination of glyoxal, methylglyoxal, and diacetyl in urine using 4-methoxy-o-phenylenediamine as derivatizing reagent by High-performance liquid chromatography (HPLC).