4-Nitrobenzaldehyde (CAS 555-16-8) — formula C7H5NO3, molecular weight 151.12; category pharmaceutical intermediates and APIs.
| CAS Number | 555-16-8 |
|---|---|
| Molecular Formula | C7H5NO3 |
| Molecular Weight | 151.12 |
| LogP | 1.56 |
| Category | Pharmaceutical Intermediates |
4-Nitrobenzaldehyde is a pharmaceutical intermediate or API compound with CAS registry number 555-16-8 and molecular formula C7H5NO3 (molecular weight 151.12), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 555-16-8
Its molecular formula C7H5NO3 comprises 7 C, 5 H, 1 N, 3 O atoms.
Also known as: 4-Nitrobenzaldehyde · 4-硝基苯甲醛 · p-nitrobenzaldehyde
Category: pharmaceutical intermediates and APIs
The CAS registry number of 4-Nitrobenzaldehyde is 555-16-8.
Molecular formula C7H5NO3, molecular weight 151.12.
It is also registered under: 4-Nitrobenzaldehyde, 4-硝基苯甲醛, p-nitrobenzaldehyde.
Category: Pharmaceutical Intermediates.
Independent reference data for 4-Nitrobenzaldehyde (CAS 555-16-8), compiled from public chemistry databases.
| CAS Registry Number | 555-16-8 |
|---|---|
| PubChem CID | 541 |
| Molecular formula | C7H5NO3 |
| IUPAC name | 4-nitrobenzaldehyde |
| UNII (FDA) | NX859P8MB0 |
| Molecular Weight | 151.12 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 151.026943022 |
| Monoisotopic Mass | 151.026943022 |
| Topological Polar Surface Area | 62.9 |
| Heavy Atom Count | 11 |
| Vapor Pressure | 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 |
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
| 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]
p-nitrobenzaldehyde · CAS 555-16-8 · C7H5NO3. UNII NX859P8MB0. Vapor Pressure: 0.00354 [mmHg]; LogP: 1.56; Ionization Efficiency: -0.09.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-硝基苯甲醛