4-Methyl-3-nitrobenzoic acid (CAS 96-98-0) — formula C8H7NO4, molecular weight 181.15; category organic chemicals.
| CAS Number | 96-98-0 |
|---|---|
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.15 |
| Melting Point | 369 to 374 °F (NTP, 1992) |
| LogP | 2.35 |
| Applications | General Manufacturing Information: Benzoic acid, 4-methyl-3-nitro-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Benzoic acid, 4-methyl-3-nitro-: ACTIVE.
4-Methyl-3-nitrobenzoic acid is a carbon-based organic compound with CAS registry number 96-98-0 and molecular formula C8H7NO4 (molecular weight 181.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 96-98-0
Its molecular formula C8H7NO4 comprises 8 C, 7 H, 1 N, 4 O atoms.
Also known as: 4-Methyl-3-nitrobenzoic acid · 4-甲基-3-硝基苯甲酸
Category: organic chemicals
The CAS registry number of 4-Methyl-3-nitrobenzoic acid is 96-98-0.
Molecular formula C8H7NO4, molecular weight 181.15.
It is also registered under: 4-Methyl-3-nitrobenzoic acid, 4-甲基-3-硝基苯甲酸.
Recorded applications: General Manufacturing Information: Benzoic acid, 4-methyl-3-nitro-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 4-Methyl-3-nitrobenzoic acid (CAS 96-98-0), compiled from public chemistry databases.
| CAS Registry Number | 96-98-0 |
|---|---|
| PubChem CID | 7319 |
| Molecular formula | C8H7NO4 |
| IUPAC name | 4-methyl-3-nitrobenzoic acid |
| UNII (FDA) | 4SVO2C6KJ2 |
| Molecular Weight | 181.15 |
|---|---|
| XLogP3 | 1.9 |
| 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 | 369 to 374 °F (NTP, 1992) |
|---|---|
| LogP | 2.35 |
4-Methyl-3-nitrobenzoic acid; 96-98-0; 3-Nitro-p-toluic acid; 3-Nitro-4-methylbenzoic acid; Benzoic acid, 4-methyl-3-nitro-; p-Toluic acid, 3-nitro-; m-Nitro-p-toluic acid; 4-METHYL-3-NITRO-BENZOIC ACID; 4SVO2C6KJ2; DTXSID6025642; NSC-50659; DTXCID705642; RefChem:99776; 202-549-3; 3-Nitro-para-toluic acid; MFCD00007174
| GHS notification summary | 4.3% (2 / 47) |
|---|
| GHS notification summary | 4.3% (2 / 47) |
|---|---|
| Reported hazard statements | H302 (83%), H315 (14.9%), H319 (14.9%), H335 (12.8%) |
This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.
H302 (83%): Harmful if swallowed [Warning Acute toxicity, oral]
4-Methyl-3-nitrobenzoic acid · CAS 96-98-0 · C8H7NO4. UNII 4SVO2C6KJ2. Melting Point: 369 to 374 °F (NTP, 1992); LogP: 2.35.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-甲基-3-硝基苯甲酸