3-Bromo-4-methylbenzonitrile
- CAS No.
- 42872-74-2
- Chemical Name:
- 3-Bromo-4-methylbenzonitrile
- Synonyms
- Bromo-4-methyl-benzonitrile;4-methyl-3-bromobenzonitrile;3-Bromo-4-methylbenzonitrile;Benzonitrile, 3-bromo-4-methyl-;3-Bromo-4-methylbenzonitrile 98%;3-BROMO-4-METHYLBENZONITRILE 97;2-Bromo-4-cyanotoluene, 3-Bromo-p-tolunitrile
- CBNumber:
- CB4498830
- Molecular Formula:
- C8H6BrN
- Molecular Weight:
- 196.04
- MDL Number:
- MFCD06797818
- MOL File:
- 42872-74-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 41-45 °C (lit.) |
|---|---|
| Boiling point | 259.1±20.0 °C(Predicted) |
| Density | 1.51±0.1 g/cm3(Predicted) |
| Flash point | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | fused solid |
| Appearance | White to off-white Solid |
| Water Solubility | Insoluble in water. |
| InChI | InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3 |
| InChIKey | VXUMRYMTYKDWMO-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(C)C(Br)=C1 |
| CAS DataBase Reference | 42872-74-2(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302+H312+H332 | |||||||||
| Precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 20/21/22 | |||||||||
| Safety Statements | 36 | |||||||||
| RIDADR | UN3439 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Harmful | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2926907090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
|||||||||
| NFPA 704 |
|
3-Bromo-4-methylbenzonitrile price More Price(53)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 642398 | 3-Bromo-4-methylbenzonitrile 97% | 42872-74-2 | 25g | $91.5 | 2026-04-30 | Buy |
| Usbiological | 266456 | 2-Bromo-4-cyanotoluene Asreported | 42872-74-2 | 10g | $333 | 2026-06-03 | Buy |
| Usbiological | 266456 | 2-Bromo-4-cyanotoluene Asreported | 42872-74-2 | 25g | $473 | 2026-06-03 | Buy |
| Usbiological | 266456 | 2-Bromo-4-cyanotoluene Asreported | 42872-74-2 | 50g | $636 | 2026-06-03 | Buy |
| Usbiological | 266456 | 2-Bromo-4-cyanotoluene Asreported | 42872-74-2 | 100g | $855 | 2026-06-03 | Buy |
3-Bromo-4-methylbenzonitrile Chemical Properties, Uses, Production
Chemical Properties
Off-white crystalline
Uses
Used as pharmaceutical intermediate.
Synthesis
104-85-8
42872-74-2
General procedure for the synthesis of 3-bromo-4-methylbenzonitrile from 4-methylbenzonitrile: 4-methylbenzonitrile (168 g, 1.46 mol) was dissolved in a mixed solution of H2SO4/H2O (800 mL, 1:1, v/v/v) at 10 °C and N-bromosuccinimide (NBS, 256 g, 1.43 mol) was added slowly. The reaction mixture was stirred under light-avoiding conditions for 48 hours. After completion of the reaction, the mixture was filtered and the filter cake was collected. The filter cake was dissolved in ethyl acetate (1000 mL) and the organic layer was washed sequentially with water and saturated saline. Subsequently, it was neutralized with NaOH solution to pH=7 and washed again with saturated saline. The organic layer was dried over anhydrous Na2SO4 and concentrated under reduced pressure to give 3-bromo-4-methylbenzonitrile (276.5 g, 89% yield) as a yellow solid.
References
[1] Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, # 2, p. 217 - 223
[2] Zhurnal Organicheskoi Khimii, 1988, vol. 24, # 2, p. 248 - 255
[3] Patent: WO2011/22337, 2011, A1. Location in patent: Page/Page column 103-104
[4] Synlett, 2007, # 14, p. 2179 - 2184
[5] Organic Letters, 2006, vol. 8, # 4, p. 645 - 647
3-Bromo-4-methylbenzonitrile Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Harvest Chemical Industrial Co., Ltd. | 15721252604 17321035817 | sales@harvest-chem.com | China | 2829 | 64 |
| Chongqing AoShe Biological Chemical Co., Ltd. | 023-63225655 13320248848 | 2366581735@qq.com | China | 501 | 55 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| INTATRADE GmbH | +49 3493/605464 | sales@intatrade.de | Germany | 3563 | 66 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| 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 | |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
View Latest Price from 3-Bromo-4-methylbenzonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-08-07 | 3-Bromo-4-methylbenzonitrile
42872-74-2
|
$1.00-22.00 | 1KG | 99% | 100000KG | Shaanxi Dideu Medichem Co. Ltd | |
 |
2026-07-22 | 3-Bromo-4-methylbenzonitrile
42872-74-2
|
1kg | 98% | 1000kgs | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2019-07-06 | 3-Bromo-4-methylbenzonitrile
42872-74-2
|
$500.00 | 1KG | 98% | 1ton | Career Henan Chemical Co |
-
- 3-Bromo-4-methylbenzonitrile
42872-74-2
- $1.00-22.00
- 99%
- Shaanxi Dideu Medichem Co. Ltd
-
- 3-Bromo-4-methylbenzonitrile
42872-74-2
- $0.00
- 98%
- Shaanxi Dideu New Materials Co. Ltd
-
- 3-Bromo-4-methylbenzonitrile
42872-74-2
- $500.00
- 98%
- Career Henan Chemical Co
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