Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-다이메틸아미노-2-메톡시벤잘데히드
4-다이메틸아미노-2-메톡시벤잘데히드 · NSC 156544 · 2-Methoxy-4-dimethylaminobenzaldehyde · 4-Dimethylamino-2-methoxybenzaldehyde · Benzaldehyde, 4-(dimethylamino)-2-methoxy-
식별자 및 물리적 특성
| CAS No. | 84562-48-1 |
|---|---|
| 분자식 | C10H13NO2 |
| 평균 분자량 | 179.22 g/mol |
| 단동위원소 질량 | 179.09462866 g/mol |
| SMILES | COc1cc(N(C)C)ccc1C=O |
| InChIKey | HGDRXADJVGVGBC-UHFFFAOYSA-N |
| PubChem CID | 291350 |
| EC No. | 677-050-0 |
| DTXSID | DTXSID90303077 |
| 현지명 | 4-다이메틸아미노-2-메톡시벤잘데히드 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 29.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 170 |
| 녹는점 | 58-60°C |
| 끓는 점 | 150-152 °C(Press: 0.1 Torr) |
| 밀도 | 1.098±0.06 g/cm3(Predicted) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2-8°C |
| 용해도 | 25°C에서 난용성 0.32g/L. |
| pKa(산도 계수) | 1.34±0.22(Predicted) |
| BRN | 2719181 |
안전 및 규제
| GHS 분류 | WarningH315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 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 | Skin Irrit. 2 (85.7%)Skin Sens. 1 (14.3%)Eye Irrit. 2 (85.7%)STOT SE 3 (85.7%) |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-36/37 |
용도
용도
4-Dimethylamino-2-methoxybenzaldehyde is used to produce 2,6-Dichloro-N'-(4-dimethylamino-2-methoxy-benzylidene)-benzene-1,4-diamine.