3-Methyl-4-nitrobenzoic Acid , 99%(T) , 3113-71-1
Synonym(s):
4-Nitro-m-toluic acid
CAS NO.：3113-71-1
Empirical Formula: C8H7NO4
Molecular Weight: 181.15
MDL number: MFCD00007168
EINECS: 221-479-4
| Pack Size | Price | Stock | Quantity |
| 25G | RMB23.20 | In Stock |
|
| 100G | RMB40.80 | In Stock |
|
| 250g | RMB101.60 | In Stock |
|
| 500G | RMB206.40 | In Stock |
|
| 2.5KG | RMB927.20 | In Stock |
|
| others | Enquire |
PRODUCT Properties
| Melting point: | 216-218 °C (lit.) |
| Boiling point: | 314.24°C (rough estimate) |
| Density | 1.4283 (rough estimate) |
| refractive index | 1.5468 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | slightly sol. in Alcohol |
| pka | 3.49±0.10(Predicted) |
| form | Amorphous Powder |
| color | Yellow |
| Water Solubility | <0.1 g/100 mL at 22 ºC |
| BRN | 1959154 |
| InChIKey | XDTTUTIFWDAMIX-UHFFFAOYSA-N |
| CAS DataBase Reference | 3113-71-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Methyl-4-nitrobenzoic acid(3113-71-1) |
| EPA Substance Registry System | 3-Methyl-4-nitrobenzoic acid (3113-71-1) |
Description and Uses
In organic synthesis, 3-Methyl-4-nitrobenzoic acid (abbreviated as MNBA) is the fine chemical product that adds value is higher; many critical organic products are obtained for raw material can synthesize further with it, as 4-chloro-quinazoline-6-ethyl formate, 2-n-propyl-4-methyl-6-carboxy benzimidazole, 4-methyl-2-ethyl-1H-benzoglyoxaline-6-methyl-formiate, 3,4-dihydro-4-quinazoline is with-6-formic acid, 4-aminophenyl-1,3-dioctyl phthalate, 4-Amino-3-methylbenzoic acid methyl esters, 4-nitrophenyl-1,3-dioctyl phthalate etc. In medicine, it is an essential intermediate in the synthesis of telmisartan (via esterification, reduction, butyrylation, nitration, reduction and cyclization), which is used to treat essential hypertension. Telmisartan is a drug belonging to the group of antagonists of angiotensin II receptors. The active ingredient telmisartan counteracts the effect of angiotensin II, allowing the arteries to relax, thereby reducing blood pressure. As a precursor, pharmaceutical researchers have also synthesized anti-cancer substances and AIDS drugs with MNBA[1].
3-Methyl-4-nitrobenzoic Acid is used as a reagent in the synthesis of influenza neuraminidase inhibitors with pyrrolidinobenzoic acid scaffold containing lipophilic side chains.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 26-36-36/37/39-22 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | Yes |
| HS Code | 29163900 |
