4-Methyl-3-nitrobenzaldehyde (CAS 31680-07-6) — formula C8H7NO3, molecular weight 165.15; category organic chemicals.
4-Methyl-3-nitrobenzaldehyde is a carbon-based organic compound with CAS registry number 31680-07-6 and molecular formula C8H7NO3 (molecular weight 165.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31680-07-6
Its molecular formula C8H7NO3 comprises 8 C, 7 H, 1 N, 3 O atoms.
Also known as: 4-Methyl-3-nitrobenzaldehyde · Methylnitrobenzaldehyde
Category: organic chemicals
The CAS registry number of 4-Methyl-3-nitrobenzaldehyde is 31680-07-6.
Molecular formula C8H7NO3, molecular weight 165.15.
It is also registered under: 4-Methyl-3-nitrobenzaldehyde, Methylnitrobenzaldehyde.
Category: Organic Chemicals.
Public-database records for 4-Methyl-3-nitrobenzaldehyde (CAS 31680-07-6), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 31680-07-6 |
|---|---|
| PubChem CID | 1798998 |
| 分子式 | C8H7NO3 |
| IUPAC 名称 | 4-methyl-3-nitrobenzaldehyde |
| UNII（FDA） | N5FD2YBQ8T |
4-Methyl-3-nitrobenzaldehyde; 3-Nitro-p-tolualdehyde; N5FD2YBQ8T; DTXSID40185567; P-TOLUALDEHYDE, 3-NITRO-; EINECS 250-760-4; RefChem:95011; DTXCID80108058; 250-760-4; KHWGAWBXQOKXIJ-UHFFFAOYSA-N; 31680-07-6; 3-nitro-4-methylbenzaldehyde; 4-methyl-3-nitro-benzaldehyde; MFCD00017011; Benzaldehyde, 4-methyl-3-nitro-; 4-Methyl-3-nitrobenzaldehyde, 98%
| 分子量 | 165.15 |
|---|---|
| XLogP3 | 1.9 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 1 |
| 精确质量 | 165.042593085 |
| 单同位素质量 | 165.042593085 |
| 拓扑极性表面积 | 62.9 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
4-Methyl-3-nitrobenzaldehyde · CAS 31680-07-6 · C8H7NO3. UNII N5FD2YBQ8T.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.