- 2-Bromo-3-nitrotoluene
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- $0.00 / 1KG
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2026-01-05
- CAS:41085-43-2
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: 20 mt
- 2-Bromo-3-nitrotoluene
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- $15.00 / 1KG
-
2021-08-11
- CAS:41085-43-2
- Min. Order: 1KG
- Purity: 99%+ HPLC
- Supply Ability: Monthly supply of 1 ton
- 2-Bromo-3-nitrotoluene
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- $15.00 / 1KG
-
2021-07-02
- CAS:41085-43-2
- Min. Order: 1KG
- Purity: 99%+ HPLC
- Supply Ability: Monthly supply of 1 ton
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| | 2-Bromo-3-nitrotoluene Basic information |
| | 2-Bromo-3-nitrotoluene Chemical Properties |
| Melting point | 38-41 °C (lit.) | | Boiling point | 135-136 °C/8 mmHg (lit.) | | density | 0.803 g/mL at 25 °C (lit.) | | refractive index | 1.6120 (estimate) | | Fp | >230 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | Methanol[soluble in] | | solubility | soluble in Methanol | | form | Low Melting Solid | | color | Pale yellow | | InChI | 1S/C7H6BrNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3 | | InChIKey | GCAAVRIWNMTOKB-UHFFFAOYSA-N | | SMILES | Cc1cccc(c1Br)[N+]([O-])=O | | CAS DataBase Reference | 41085-43-2(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HS Code | 29049090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-Bromo-3-nitrotoluene Usage And Synthesis |
| Chemical Properties | Pale yellow low melting solid | | Uses | 2-Bromo-3-nitrotoluene may be used in the preparation of unsymmetrical dimethyl dinitro biphenyl, via Ullmann reaction. It may be used as starting material in the synthesis of 10-methylfluoranthene. | | General Description | Crystal structure of 2-bromo-3-nitrotoluene has been studied and the dihedral angle between the nitro group and the phenyl ring is reported to be 54.1(4)°. | | Synthesis | The general procedure for the preparation of 2-bromo-3-nitrotoluene by diazotization reaction using 2-methyl-6-nitroaniline as starting material was as follows: first, 2-methyl-6-nitroaniline (30.4 g, 0.2 mol) was suspended in water (250 mL) and 40% aqueous hydrobromic acid (100 mL), refluxed for 10 min and then cooled to 0 °C. A solution of sodium nitrite (13.8 g, 0.2 mol) in water (80 mL) was added slowly and dropwise at a temperature below 5 °C. The resulting diazonium salt solution was continued to be stirred at 0-5 °C for 30 min, followed by the slow addition of a stirring mixed solution of cuprous bromide (28.7 g, 0.2 mol) in hydrobromic acid (80 mL) and water (150 mL) at room temperature. The reaction mixture was stirred at room temperature for 30 minutes and then heated and stirred on a steam bath for 1 hour. Upon completion of the reaction, it was washed with saturated sodium bicarbonate solution and brine, dried over magnesium sulfate and concentrated. The residue was purified by column chromatography using petroleum ether as eluent to give 2-bromo-3-nitrotoluene as a light yellow solid (25.9 g, 60% yield). | | References | [1] European Journal of Organic Chemistry, 2005, # 16, p. 3536 - 3541
[2] Angewandte Chemie - International Edition, 2012, vol. 51, # 12, p. 2925 - 2929
[3] Angewandte Chemie - International Edition, 2010, vol. 49, # 40, p. 7257 - 7260
[4] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 2, p. 644 - 651
[5] Patent: WO2011/22337, 2011, A1. Location in patent: Page/Page column 97 |
| | 2-Bromo-3-nitrotoluene Preparation Products And Raw materials |
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