3-Nitrobenzaldehyde (CAS 99-61-6) — formula C7H5NO3, molecular weight 151.12; category pharmaceutical intermediates and APIs.
| CAS Number | 99-61-6 |
|---|---|
| Molecular Formula | C7H5NO3 |
| Molecular Weight | 151.12 |
| LogP | 1.47 |
| Applications | General Manufacturing Information: Benzaldehyde, 3-nitro-: ACTIVE |
| Category | Pharmaceutical Intermediates |
Documented applications: General Manufacturing Information: Benzaldehyde, 3-nitro-: ACTIVE.
3-Nitrobenzaldehyde is a pharmaceutical intermediate or API compound with CAS registry number 99-61-6 and molecular formula C7H5NO3 (molecular weight 151.12), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 99-61-6
Its molecular formula C7H5NO3 comprises 7 C, 5 H, 1 N, 3 O atoms.
Also known as: 3-Nitrobenzaldehyde · 3-硝基苯甲醛
Category: pharmaceutical intermediates and APIs
The CAS registry number of 3-Nitrobenzaldehyde is 99-61-6.
Molecular formula C7H5NO3, molecular weight 151.12.
It is also registered under: 3-Nitrobenzaldehyde, 3-硝基苯甲醛.
Recorded applications: General Manufacturing Information: Benzaldehyde, 3-nitro-: ACTIVE.
Category: Pharmaceutical Intermediates.
Independent reference data for 3-Nitrobenzaldehyde (CAS 99-61-6), compiled from public chemistry databases.
| CAS Registry Number | 99-61-6 |
|---|---|
| PubChem CID | 7449 |
| Molecular formula | C7H5NO3 |
| IUPAC name | 3-nitrobenzaldehyde |
| UNII (FDA) | G4O92KO71Z |
| Molecular Weight | 151.12 |
|---|---|
| XLogP3 | 1.5 |
| 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 |
| LogP | 1.47 |
|---|---|
| Ionization Efficiency | 0.09 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
3-NITROBENZALDEHYDE; 99-61-6; m-Nitrobenzaldehyde; Benzaldehyde, 3-nitro-; meta-nitrobenzaldehyde; DTXSID8049383; NSC-5504; G4O92KO71Z; DTXCID5029342; RefChem:95017; 202-772-6; 3-Formylnitrobenzene; 5-Nitrobenzaldehyde; 3-nitro-benzaldehyde; Benzaldehyde, m-nitro-; MFCD00007249
| Reported hazard statements | H302 (77.5%), H315 (77.5%), H319 (77.5%), H335 (76%), H411 (77.5%) |
|---|
H302 (77.5%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (77.5%): Causes skin irritation [Warning Skin corrosion/irritation]
3-Nitrobenzaldehyde · CAS 99-61-6 · C7H5NO3. UNII G4O92KO71Z. LogP: 1.47; Ionization Efficiency: 0.09; Ionization Efficiency: 2.7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-硝基苯甲醛