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4-Dimethylamino-2-nitrobenzaldehyde
4-Dimethylamino-2-nitrobenzaldehyde 97% · 4-Dimethylamino-2-nitrobenzaldehyde 97 · Benzaldehyde, 4-(dimethylamino)-2-nitro-
識別子と物理属性
| CAS No. | 56670-20-3 |
|---|---|
| 分子式 | C9H10N2O3 |
| 平均分子量 | 194.19 g/mol |
| 単同位体質量 | 194.06914218 g/mol |
| SMILES | CN(C)c1ccc(C=O)c([N+](=O)[O-])c1 |
| InChIKey | DHLFXZQEAWYQLC-UHFFFAOYSA-N |
| PubChem CID | 291352 |
| EC No. | 623-497-1 |
| DTXSID | DTXSID10303079 |
化学・物理的性質
| XLogP | 1.4 |
|---|---|
| 極性表面積 | 66.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 2 |
| 重原子数 | 14 |
| 形式電荷 | 0 |
| 複雑度 | 225 |
| 融点 | 117 °C (dec.) (lit.) |
| 沸点 | 365.5±32.0 °C(Predicted) |
| 密度 | 1.286±0.06 g/cm3(Predicted) |
| 貯蔵条件 | Inert atmosphere,Room Temperature |
| pKa（酸解離定数） | -0.70±0.22(Predicted) |
| InChI | 1S/C9H10N2O3/c1-10(2)8-4-3-7(6-12)9(5-8)11(13)14/h3-6H,1-2H3 |
| InChIKey | DHLFXZQEAWYQLC-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccc(C=O)c(c1)[N+]([O-])=O |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | 3 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
4-Dimethylamino-2-nitrobenzaldehyde may be used to synthesize the following substituted 4-(dimethylamino)-6-nitrobenzaldehydes:5-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3-chloro-4-(dimethylamino)-2-nitrobenzaldehyde3,5-dichloro-4-(dimethylamino)-6-nitrobenzaldehyde