p-nitrobenzaldehyde (CAS 555-16-8) — formula C7H5NO3, molecular weight 151.12.
p-nitrobenzaldehyde is a chemical compound with CAS registry number 555-16-8 and molecular formula C7H5NO3 (molecular weight 151.12).
CAS number: 555-16-8
Its molecular formula C7H5NO3 comprises 7 C, 5 H, 1 N, 3 O atoms.
Also known as: p-nitrobenzaldehyde · 4-Nitrobenzaldehyde
The CAS registry number of p-nitrobenzaldehyde is 555-16-8.
Molecular formula C7H5NO3, molecular weight 151.12.
It is also registered under: p-nitrobenzaldehyde, 4-Nitrobenzaldehyde.
Public-database records for p-nitrobenzaldehyde (CAS 555-16-8), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (35.3%), H317 (80.9%), H319 (97.1%), H335 (33.8%), H412 (22.1%) |
|---|
H315 (35.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (80.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| 蒸气压 | 0.00354 [mmHg] |
|---|---|
| LogP | 1.56 |
| Ionization Efficiency | -0.09 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
| CAS Registry Number | 555-16-8 |
|---|---|
| PubChem CID | 541 |
| 分子式 | C7H5NO3 |
| IUPAC 名称 | 4-nitrobenzaldehyde |
| UNII（FDA） | NX859P8MB0 |
4-nitrobenzaldehyde; 555-16-8; p-Nitrobenzaldehyde; Benzaldehyde, 4-nitro-; p-Formylnitrobenzene; Benzaldehyde, p-nitro-; DTXSID5022061; para-nitrobenzaldehyde; NX859P8MB0; CHEBI:66926; NSC-6103; CCRIS-1675; DTXCID402061; RefChem:100037; 209-084-5; 4-Nitro-benzaldehyde
| 分子量 | 151.12 |
|---|---|
| XLogP3 | 1.6 |
| 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 |
p-nitrobenzaldehyde · CAS 555-16-8 · C7H5NO3. UNII NX859P8MB0. 蒸气压: 0.00354 [mmHg]; LogP: 1.56; Ionization Efficiency: -0.09.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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