5-Methyl-2-nitrobenzoic acid (CAS 3113-72-2) — formula C8H7NO4, molecular weight 181.15; category organic chemicals.
| CAS Number | 3113-72-2 |
|---|---|
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.15 |
| Melting Point | 273 to 277 °F (NTP, 1992) |
| LogP | 1.63 |
| Category | Organic Chemicals |
5-Methyl-2-nitrobenzoic acid is a carbon-based organic compound with CAS registry number 3113-72-2 and molecular formula C8H7NO4 (molecular weight 181.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3113-72-2
Its molecular formula C8H7NO4 comprises 8 C, 7 H, 1 N, 4 O atoms.
Also known as: 5-Methyl-2-nitrobenzoic acid · 2-硝基-5-甲基苯甲酸
Category: organic chemicals
The CAS registry number of 5-Methyl-2-nitrobenzoic acid is 3113-72-2.
Molecular formula C8H7NO4, molecular weight 181.15.
It is also registered under: 5-Methyl-2-nitrobenzoic acid, 2-硝基-5-甲基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 5-Methyl-2-nitrobenzoic acid (CAS 3113-72-2), compiled from public chemistry databases.
| CAS 号 | 3113-72-2 |
|---|---|
| PubChem CID | 18371 |
| 分子式 | C8H7NO4 |
| IUPAC 名称 | 5-methyl-2-nitrobenzoic acid |
| UNII（FDA） | M9473083XH |
| Molecular Weight | 181.15 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 181.03750770 |
| Monoisotopic Mass | 181.03750770 |
| Topological Polar Surface Area | 83.1 |
| Heavy Atom Count | 13 |
| Melting Point | 273 to 277 °F (NTP, 1992) |
|---|---|
| LogP | 1.63 |
5-Methyl-2-nitrobenzoic acid; 3113-72-2; 2-Nitro-5-methylbenzoic acid; Benzoic acid, 5-methyl-2-nitro-; 3-Methyl-6-nitrobenzoic acid; 6-Nitro-m-toluic acid; m-Toluic acid, 6-nitro-; EINECS 221-481-5; NSC 38067; UNII-M9473083XH; NSC-38067; M9473083XH; DTXSID1025643; METHYL-2-NITROBENZOIC ACID, 5-; RefChem:103124; DTXCID105643
| 已通报的危害声明 | H302 (22.2%), H315 (100%), H319 (100%), H335 (88.9%) |
|---|
2-硝基-5-甲基苯甲酸 · CAS 3113-72-2 · C8H7NO4. UNII M9473083XH. Melting Point: 273 to 277 °F (NTP, 1992); LogP: 1.63.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-硝基-5-甲基苯甲酸