4-Iodophenylacetonitrile
- CAS No.
- 51628-12-7
- Chemical Name:
- 4-Iodophenylacetonitrile
- Synonyms
- 2-(4-iodophenyl)acetonitrile;p-IodobenzylCyanide;4-IODOBENZYL CYANIDE;4-Iodophenylacetonitrile;4-Iodophenylacetonitrile 97%;4-Iodophenylacetonitrile-97%;Benzeneacetonitrile, 4-iodo-;2-(4-iodophenyl)ethanenitrile;4-Iodophenylacetonitrile 4-Iodobenzyl Cyanide p-Iodobenzyl Cyanide
- CBNumber:
- CB9775608
- Molecular Formula:
- C8H6IN
- Molecular Weight:
- 243.04
- MDL Number:
- MFCD00060306
- MOL File:
- 51628-12-7.mol
- MSDS File:
- SDS
| Melting point | 53-57 °C(lit.) |
|---|---|
| Boiling point | 152°C/ 3mm |
| Density | 1.764±0.06 g/cm3(Predicted) |
| Flash point | >230 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | powder to crystal |
| color | White to Light yellow |
| Water Solubility | Insoluble in water |
| Sensitive | Light Sensitive |
| BRN | 1934479 |
| InChI | 1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 |
| InChIKey | PNXWQTYSBFGIFD-UHFFFAOYSA-N |
| SMILES | Ic1ccc(CC#N)cc1 |
| CAS DataBase Reference | 51628-12-7(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H317 | |||||||||
| Precautionary statements | P261-P264-P270-P280-P301+P312-P302+P352 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Faceshields, Gloves | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-43 | |||||||||
| Safety Statements | 36/37 | |||||||||
| RIDADR | 3276 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Skin Sens. 1 |
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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 |
|
4-Iodophenylacetonitrile price More Price(53)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 587028 | 4-Iodophenylacetonitrile 97% | 51628-12-7 | 5g | $102 | 2026-04-30 | Buy |
| Sigma-Aldrich | 587028 | 4-Iodophenylacetonitrile 97% | 51628-12-7 | 1g | $45.2 | 2023-06-20 | Buy |
| TCI Chemical | I1058 | 4-Iodophenylacetonitrile >95.0%(GC) | 51628-12-7 | 1g | $28 | 2026-04-30 | Buy |
| TCI Chemical | I1058 | 4-Iodophenylacetonitrile >95.0%(GC) | 51628-12-7 | 5g | $91 | 2026-04-30 | Buy |
| Apolloscientific | OR6785 | (4-Iodophenyl)acetonitrile 98% | 51628-12-7 | 5g | $21 | 2026-06-04 | Buy |
4-Iodophenylacetonitrile Chemical Properties,Uses,Production
Uses
4-Iodophenylacetonitrile is used as an intermediate in organic syntheses and in pharmaceuticals.
Synthesis
624-31-7
51628-12-7
The general procedure for the synthesis of 4-iodophenylacetonitrile using 4-iodotoluene as starting material was as follows: referring to the operation of Example 3, a mixture of 4.36 g (20.0 mmol) of p-iodotoluene (Tokyo Kasei), 3.92 g (22.0 mmol) of N-bromosuccinimide (Tokyo Kasei) and 60 mL of carbon tetrachloride (Wako Junyaku Kogyo) was refluxed under incandescent lamp for 4 h. 2.67 g (yield: 45.0%) of 4-iodobenzyl bromide was obtained and the product was a white crystal. Subsequently, 0.49 g (10.0 mmol) of sodium cyanide (Kokusan Kagaku) was dissolved in 10 mL of dimethyl sulfoxide (Aldrich) at 50 °C, 1.48 g (5.0 mmol) of the 4-iodobenzyl bromide prepared as described above was added, and the mixture was stirred for 3 h at room temperature. After the reaction was completed, the reaction mixture was dissolved in water, extracted with hexane, and the hexane was removed by evaporation to give 0.84 g (yield: 68.9%) of 4-iodobenzylacetonitrile, the product was white crystal.
References
[1] Patent: US5574062, 1996, A
[2] Journal of Organic Chemistry, 2017, vol. 82, # 2, p. 1114 - 1126
4-Iodophenylacetonitrile Preparation Products And Raw materials
Raw materials
1of2
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 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Changzhou Huanling Chemical Co., Ltd. | 89803005 18206112582 | info@huanlingchem.com | China | 983 | 68 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Shanghai Sphchem Co., Ltd. | 021-56491756 13512199871 | 2819742715@qq.com | China | 3994 | 55 |
| TOKYO CHEMICAL INDUSTRY CO., LTD. | 03-36680489 | Sales-JP@TCIchemicals.com | Japan | 28364 | 80 |
| TCI Europe | 320-37350700 | sales@tcieurope.eu | Europe | 23654 | 75 |
View Lastest Price from 4-Iodophenylacetonitrile manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-09-03 | 4-IODOPHENYLACETONITRILE
51628-12-7
|
$7.00 | 1KG | 98% | Career Henan Chemical Co |
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- 4-IODOPHENYLACETONITRILE
51628-12-7
- $7.00
- 98%
- Career Henan Chemical Co
