3-Methyl-4-nitrobenzoic acid (CAS 3113-71-1) — formula C8H7NO4, molecular weight 181.15; category organic chemicals.
| CAS Number | 3113-71-1 |
|---|---|
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.15 |
| Melting Point | 421 to 424 °F (NTP, 1992) |
| LogP | 2.42 |
| Category | Organic Chemicals |
3-Methyl-4-nitrobenzoic acid is a carbon-based organic compound with CAS registry number 3113-71-1 and molecular formula C8H7NO4 (molecular weight 181.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3113-71-1
Its molecular formula C8H7NO4 comprises 8 C, 7 H, 1 N, 4 O atoms.
Also known as: 3-Methyl-4-nitrobenzoic acid · 3-甲基-4-硝基苯甲酸
Category: organic chemicals
The CAS registry number of 3-Methyl-4-nitrobenzoic acid is 3113-71-1.
Molecular formula C8H7NO4, molecular weight 181.15.
It is also registered under: 3-Methyl-4-nitrobenzoic acid, 3-甲基-4-硝基苯甲酸.
Category: Organic Chemicals.
Independent reference data for 3-Methyl-4-nitrobenzoic acid (CAS 3113-71-1), compiled from public chemistry databases.
| CAS Registry Number | 3113-71-1 |
|---|---|
| PubChem CID | 18370 |
| Molecular formula | C8H7NO4 |
| IUPAC name | 3-methyl-4-nitrobenzoic acid |
| UNII (FDA) | ELP258JXH0 |
| 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 | 421 to 424 °F (NTP, 1992) |
|---|---|
| LogP | 2.42 |
3-Methyl-4-nitrobenzoic acid; 4-Nitro-m-toluic acid; Benzoic acid, 3-methyl-4-nitro-; m-Toluic acid, 4-nitro-; 4-nitro-3-methylbenzoic acid; NSC 28455; DTXSID1025641; UNII-ELP258JXH0; EINECS 221-479-4; ELP258JXH0; NSC-28455; DTXCID305641; M-METHYL-P-NITROBENZOIC ACID; METHYL-4-NITROBENZOIC ACID, 3-; RefChem:94770; 3-methyl-4-nitrobenzoate
| Reported hazard statements | H315 (100%), H319 (100%), H335 (98.8%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
3-Methyl-4-nitrobenzoic acid · CAS 3113-71-1 · C8H7NO4. UNII ELP258JXH0. Melting Point: 421 to 424 °F (NTP, 1992); LogP: 2.42.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-甲基-4-硝基苯甲酸