- 3-BROMO-4-HYDROXYBENZONITRILE
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- $100.00 / 1KG
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2025-09-25
- CAS:2315-86-8
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
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| | 3-BROMO-4-HYDROXYBENZONITRILE Basic information |
| | 3-BROMO-4-HYDROXYBENZONITRILE Chemical Properties |
| Melting point | 155-159 °C(lit.) | | Boiling point | 271.1±25.0 °C(Predicted) | | density | 1.79±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Methanol (Slightly, Heated) | | form | Solid | | pka | 6.30±0.18(Predicted) | | color | Off-White to Pale Beige | | BRN | 2207020 | | InChI | InChI=1S/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H | | InChIKey | HLHNOIAOWQFNGW-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC=C(O)C(Br)=C1 | | CAS DataBase Reference | 2315-86-8(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 22 | | Safety Statements | 36/37 | | RIDADR | 3276 | | WGK Germany | 3 | | Hazard Note | Harmful | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 13 - Non Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 3-BROMO-4-HYDROXYBENZONITRILE Usage And Synthesis |
| Chemical Properties | brown crystals or needles | | Uses | 3-Bromo-4-hydroxybenzonitrile is a reactant that has been used in the preparation of tetrazoles. | | Synthesis | 4-Hydroxybenzonitrile (III) (5.0 g, 0.042 mol) was dissolved in acetonitrile (50 mL) under nitrogen atmosphere. The reaction mixture was cooled to -15 °C and trifluoromethanesulfonic acid (CF3SO3H) (3.7 mL, 6.3 g, 0.042 mol) was slowly added. Maintaining the reaction temperature at -15 °C, N-bromosuccinimide (NBS) (8.2 g, 0.046 mol) was added in 6 additions in batches. After addition, the reaction mixture was returned to room temperature and continued to be stirred under nitrogen atmosphere for 4 h. The reaction process was monitored by thin-layer chromatography (TLC) (unfolding reagent: hexane/ethyl acetate = 75:25, detection method: UV and KMnO4 color development). When the raw materials were completely consumed, the reaction mixture was diluted with aqueous sodium carbonate (Na2CO3) and extracted with methyl tert-butyl ether (MTBE) (3 x 50 mL). The organic layers were combined, dried with anhydrous sodium sulfate, and concentrated under reduced pressure to remove the solvent to give 3-bromo-4-hydroxybenzonitrile (IV) as a white solid (7.7 g, 93% yield).1H NMR (DMSO-d6, 300 MHz, 300 K): δ=8.04 (d, J=2.2Hz, 1H), 7.63 (dd, J=2.2Hz, 8.5Hz, 8.5 Hz. 1H), 7.04 (d, J=8.5Hz, 1H). | | References | [1] Patent: US9181298, 2015, B2. Location in patent: Page/Page column 33; Sheet 8
[2] Journal of Organic Chemistry, 2005, vol. 70, # 11, p. 4267 - 4271
[3] Patent: WO2010/142653, 2010, A1. Location in patent: Page/Page column 14
[4] Patent: CN103333134, 2016, B. Location in patent: Paragraph 0101; 0102
[5] RSC Advances, 2014, vol. 4, # 49, p. 25898 - 25903 |
| | 3-BROMO-4-HYDROXYBENZONITRILE Preparation Products And Raw materials |
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