3-Bromo-4-methoxybenzonitrile
- CAS No.
- 117572-79-9
- Chemical Name:
- 3-Bromo-4-methoxybenzonitrile
- Synonyms
- AKOS B004290;BUTTPARK 87\07-61;2-Bromo-4-cyanoanisole;3-Bromo-p-anisyl cyanide;Phloroglucinol Impurity 229;3-BROMO-4-METHOXYBENZONITRILE;3-Bromo-4-methoxylbenzonitrile;3-Bromo-4-methoxy-carbonitrile;3-Bromo-4-methoxybenzonitrile>Benzonitrile, 3-bromo-4-methoxy-
- CBNumber:
- CB5139596
- Molecular Formula:
- C8H6BrNO
- Molecular Weight:
- 212.04
- MDL Number:
- MFCD00143097
- MOL File:
- 117572-79-9.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 122-124 °C (lit.) |
|---|---|
| Boiling point | 282.8±20.0 °C(Predicted) |
| Density | 1.56±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Soluble in methanol. |
| form | powder to crystal |
| color | White to Light yellow to Light orange |
| BRN | 3246576 |
| InChI | 1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3 |
| InChIKey | QHWZMDRKTYTPEE-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1Br)C#N |
| CAS DataBase Reference | 117572-79-9(CAS DataBase Reference) |
| UNSPSC Code | 12352200 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS06,GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H301-H312+H332-H331-H302-H312-H315-H319-H332-H335 | |||||||||
| Precautionary statements | P261-P280-P305+P351+P338-P304+P340-P501a-P264-P270-P271-P301+P310+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P405-P501 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 20/21/22-36/37/38-52 | |||||||||
| Safety Statements | 26-36 | |||||||||
| RIDADR | 3439 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Harmful/Irritant | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| Limited Quantities | 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
3-Bromo-4-methoxybenzonitrile price More Price(68)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TCI Chemical | B3124 | 3-Bromo-4-methoxybenzonitrile >98.0%(GC) | 117572-79-9 | 5g | $38 | 2026-04-30 | Buy |
| Strem Chemicals | 07-0105 | 3-Bromo-4-methoxybenzonitrile, min. 99% min.99% | 117572-79-9 | 25g | $52 | 2026-04-30 | Buy |
| Strem Chemicals | 07-0105 | 3-Bromo-4-methoxybenzonitrile, min. 99% min.99% | 117572-79-9 | 100g | $156 | 2026-04-30 | Buy |
| Usbiological | 266382 | 2-Bromo-4-cyanoanisole Asreported | 117572-79-9 | 10g | $353 | 2026-06-03 | Buy |
| Usbiological | 266382 | 2-Bromo-4-cyanoanisole Asreported | 117572-79-9 | 25g | $549 | 2026-06-03 | Buy |
3-Bromo-4-methoxybenzonitrile Chemical Properties,Uses,Production
Chemical Properties
Off-white powder
Uses
3-Bromo-4-methoxybenzonitrile is used to prepare 3-bromo-2-iodo-4-methoxy-benzonitrile. It is also used as pharmaceutical intermediates.
Synthesis
2315-86-8
74-88-4
117572-79-9
The reaction was carried out with 3-bromo-4-hydroxybenzonitrile (5.0 g, 25.3 mmol), potassium carbonate (7.0 g, 50.1 mmol) and iodomethane (3.9 g, 27.8 mmol) in acetonitrile (20 mL) with stirring for 6 h at 25 °C. The reaction was carried out by thin layer chromatography (TLC). The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the completion of the reaction, the reaction mixture was subjected to liquid-liquid separation between ethyl acetate (100 mL) and water (30 mL). The organic phase was collected, washed with brine (20 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure to obtain the crude product. The crude product was purified by fast column chromatography on silica gel to afford 3-bromo-4-methoxybenzenecarbonitrile (4.8 g, 22.6 mmol) in 89% yield using a hexane solution of 30% ethyl acetate as eluent.
References
[1] Patent: WO2017/11590, 2017, A1. Location in patent: Paragraph 00409
[2] Patent: US2005/153877, 2005, A1. Location in patent: Page/Page column 122
3-Bromo-4-methoxybenzonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Ark Pharm, Inc. | 847-367-3680 | sales@arkpharminc.com | United States | 1669 | 56 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shijiazhuang Sdyano Fine Chemical Co., Ltd. | 0311-89250318 13582355795 | master@sjzsdyn.com | China | 2776 | 65 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
View Lastest Price from 3-Bromo-4-methoxybenzonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-09-02 | 3-Bromo-4-methoxybenzonitrile
117572-79-9
|
$7.00 | 1KG | 99% | Career Henan Chemical Co |
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- 3-Bromo-4-methoxybenzonitrile
117572-79-9
- $7.00
- 99%
- Career Henan Chemical Co
