| Identification | More | [Name]
2-Aminobenzyl cyanide | [CAS]
2973-50-4 | [Synonyms]
2-AMINOBENZYL CYANIDE
2-AMINOPHENYLACETONITRILE
O-AMINOPHENYLACETONITRILE
2-AMINOBENZYL CYANIDE/2-AMINOPHENYLACETONITRILE
2-(Cyanomethyl)aniline
2-Aminobenzeneacetonitrile
o-Aminobenzyl cyanide | [EINECS(EC#)]
221-015-0 | [Molecular Formula]
C8H8N2 | [MDL Number]
MFCD00091082 | [Molecular Weight]
132.16 | [MOL File]
2973-50-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Brown Solid | [Melting point ]
69-72 °C (lit.) | [Boiling point ]
321°C | [density ]
1.120±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
DMSO, Methanol | [form ]
Powder | [pka]
3.24±0.10(Predicted) | [color ]
Off-white | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChI]
1S/C8H8N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5,10H2 | [InChIKey]
LMDPYYUISNUGGT-UHFFFAOYSA-N | [SMILES]
Nc1ccccc1CC#N | [CAS DataBase Reference]
2973-50-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [WGK Germany ]
3
| [HazardClass ]
6.1 | [HS Code ]
2926907090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
Brown Solid | [Uses]
2-Aminobenzyl cyanide may be used in the preparation of oxindole. | [Synthesis]
General procedure for the synthesis of o-aminophenylacetonitrile from 2-nitrophenylacetonitrile: 2-nitrophenylacetonitrile (30 g, 185 mmol) and 10% palladium/carbon catalyst (2 g) were suspended in acetic acid (450 mL). The suspension was transferred to a Parr hydrogenation unit and the hydrogenation reaction was carried out at 30 psi hydrogen pressure and room temperature for 2 hours. Upon completion of the reaction, the reaction mixture was filtered through a Celite pad to remove the catalyst. The filtrate was concentrated to dryness under reduced pressure. The resulting residue was dissolved in ethyl acetate (250 mL) and washed sequentially with water (2 x 100 mL) and saturated sodium chloride solution (50 mL). The organic phase was dried over anhydrous sodium sulfate, filtered and concentrated. The crude product was purified by column chromatography (100-200 mesh silica gel) using petroleum ether solution of 8% ethyl acetate as eluent to give o-aminophenylacetonitrile (13.5 g, 55% yield) as a white solid.1H NMR (CDCl3) δ ppm: 7.3-7.1 (m, 2H), 6.9-6.7 (m, 2H), 3.7 (br, 2H), 3.5 (s, 2H). | [References]
[1] Chemical and Pharmaceutical Bulletin, 1983, vol. 31, # 10, p. 3424 - 3445
[2] Patent: US2011/111046, 2011, A1. Location in patent: Page/Page column 17
[3] Patent: WO2011/58473, 2011, A1. Location in patent: Page/Page column 34; 35
[4] Tetrahedron Letters, 2006, vol. 47, # 2, p. 159 - 162
[5] Journal of the American Chemical Society, 1950, vol. 72, p. 3047,3049 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
China Langchem Inc.
|
| Telephone: |
0086-21-58956006 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
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