| Identification | More | [Name]
4-Methyl-3-nitrobenzoic acid methyl ester | [CAS]
7356-11-8 | [Synonyms]
3-NITRO-P-TOLUIC ACID METHYL ESTER
4-METHYL-3-NITROBENZOIC ACID METHYL ESTER
METHYL 3-NITRO-4-METHYLBENZOATE
METHYL 4-METHYL-3-NITROBENZOATE
RARECHEM AL BF 0233
4-Methyl-3-Nitro Benzoic Acid Methyl Ester Methyl 4-Methyl-3-Nitro Benzoate
3-NITRO-4-METHYLBENZOICACIDMETHYLESTER
BENZOICACID,4-METHYL-3-NITRO-,METHYLESTER(9CI) | [EINECS(EC#)]
230-886-6 | [Molecular Formula]
C9H9NO4 | [MDL Number]
MFCD00130054 | [Molecular Weight]
195.17 | [MOL File]
7356-11-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
49-53°C | [Boiling point ]
298.0±20.0 °C(Predicted) | [density ]
1?+-.0.06 g/cm3(Predicted) | [Fp ]
110 °C | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Soluble in methanol. | [form ]
powder to crystal | [color ]
White to Light yellow | [InChI]
1S/C9H9NO4/c1-6-3-4-7(9(11)14-2)5-8(6)10(12)13/h3-5H,1-2H3 | [InChIKey]
YFPBHPCMYFCRKS-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccc(C)c(c1)[N+]([O-])=O | [CAS DataBase Reference]
7356-11-8(CAS DataBase Reference) | [EPA Substance Registry System]
7356-11-8(EPA Substance) |
| Questions And Answer | Back Directory | [Synthesis]
Methyl 4-methyl-3-nitrobenzoate is synthesized by the following steps:Acid 33 (100 g, 0.552 mol) was dissolved in MeOH (1000 ml). Conc. H2SO4 (30 ml) was added cautiously to this solution. The mixture was refluxed for 8 hours. Solvent was distilled off. Ice-cold water was added to the residue. It was then extracted with EtOAc, washed with NaHCO3 solution, water, dried (anhydrous Na2SO4), filtered and concentrated in vacuo to furnish faint yellow a solid. (91.57 g). |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H317 | [Precautionary statements ]
P280-P301+P312+P330-P302+P352 | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact. | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
2
| [TSCA ]
Yes | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Skin Sens. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
Methyl 4-methyl-3-nitrobenzoate is used as pharmaceutical intermediate. | [References]
[1] Patent: WO2005/12288, 2005, A1. Location in patent: Page/Page column 181
[2] Patent: WO2005/66136, 2005, A1. Location in patent: Page/Page column 93
[3] Chemical and Pharmaceutical Bulletin, 1995, vol. 43, # 10, p. 1692 - 1695
[4] Patent: US2012/277224, 2012, A1. Location in patent: Page/Page column 83
[5] Journal of the Chemical Society, 1911, vol. 99, p. 2131 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Maya High Purity Chemicals
|
| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
|