O-Nitrobenzaldehyde (CAS 552-89-6) — formula C7H5NO3, molecular weight 151.12.
O-Nitrobenzaldehyde is a chemical compound with CAS registry number 552-89-6 and molecular formula C7H5NO3 (molecular weight 151.12).
CAS number: 552-89-6
Its molecular formula C7H5NO3 comprises 7 C, 5 H, 1 N, 3 O atoms.
Also known as: O-Nitrobenzaldehyde · 2-Nitrobenzaldehyde
The CAS registry number of O-Nitrobenzaldehyde is 552-89-6.
Molecular formula C7H5NO3, molecular weight 151.12.
It is also registered under: O-Nitrobenzaldehyde, 2-Nitrobenzaldehyde.
Public-database records for O-Nitrobenzaldehyde (CAS 552-89-6), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (97.5%), H315 (99.2%), H319 (99.2%), H335 (97.5%), H412 (45%) |
|---|
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]
| LogP | 1.74 |
|---|---|
| Ionization Efficiency | 0.78 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
| CAS Registry Number | 552-89-6 |
|---|---|
| PubChem CID | 11101 |
| 分子式 | C7H5NO3 |
| IUPAC 名称 | 2-nitrobenzaldehyde |
| UNII（FDA） | 48B18Q9B8E |
2-NITROBENZALDEHYDE; 552-89-6; o-Nitrobenzaldehyde; Benzaldehyde, 2-nitro-; Benzaldehyde, o-nitro-; 2-Nitro-benzaldehyde; ortho-nitrobenzaldehyde; DTXSID0022060; 48B18Q9B8E; NSC-5713; CHEBI:66927; CCRIS-2322; DTXCID002060; RefChem:88705; 209-025-3; Nitrobenzaldehyde
| 分子量 | 151.12 |
|---|---|
| XLogP3 | 1.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 151.026943022 |
| 单同位素质量 | 151.026943022 |
| 拓扑极性表面积 | 62.9 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
O-Nitrobenzaldehyde · CAS 552-89-6 · C7H5NO3. UNII 48B18Q9B8E. LogP: 1.74; Ionization Efficiency: 0.78; Ionization Efficiency: 2.7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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