| Identification | More | [Name]
4-(Aminomethyl)benzonitrile hydrochloride | [CAS]
15996-76-6 | [Synonyms]
4-(AMINOMETHYL)BENZONITRILE HCL
4-(AMINOMETHYL)BENZONITRILE HYDROCHLORIDE
4-CNBAM X HCL
4-CYANOBENZYLAMINE HYDROCHLORIDE
ALPHA-AMINO-P-TOLUNITRILE HYDROCHLORIDE | [Molecular Formula]
C8H9ClN2 | [MDL Number]
MFCD01861472 | [Molecular Weight]
168.62 | [MOL File]
15996-76-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
274-279 °C(lit.)
| [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly), Water (Slightly) | [form ]
Solid | [color ]
Off-White to Yellow | [Water Solubility ]
almost transparency | [InChI]
1S/C8H8N2.ClH/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2;1H | [InChIKey]
QREZLLYPLRPULF-UHFFFAOYSA-N | [SMILES]
Cl[H].NCc1ccc(cc1)C#N | [CAS DataBase Reference]
15996-76-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
Solid | [Uses]
4-(Aminomethyl)benzonitrile hydrochloride can be used in the synthesis of fluorescent-labeled bisbenzamidine, which can be a biochemical tool in biomedical studies. It can also be used in the synthesis of 3-(p-benzylamino)-1,2,4,5 tetrazine, used in the modification of alginate hydrogels, employed in cell engineering applications. | [Synthesis]
In a 200 mL four-neck flask equipped with a stirrer, a thermometer, a gas introduction tube, and a reflux condenser, 4-cyanobenzylamine (10.0 g) obtained in Preparation Example 3 was dissolved in ethyl acetate (90.0 g). The reactor was cooled in a water bath under stirring while hydrogen chloride gas was slowly introduced into the gas phase of the reactor. Immediately after the introduction of hydrogen chloride gas, an exothermic phenomenon was observed and a white solid precipitated. After the reaction mixture was cooled to room temperature, the white solid was separated by filtration and dried in a vacuum desiccator to give 12.6 g of 4-(aminomethyl)benzonitrile hydrochloride (99% yield as 4-cyanobenzylamine). The resulting 4-(aminomethyl)benzonitrile hydrochloride was analyzed by high performance liquid chromatography and found to contain 77 wt% of 4-cyanobenzylamine. In addition, anion chromatographic analysis showed 23 wt% of hydrogen chloride in 4-(aminomethyl)benzonitrile hydrochloride. The measured bulk density of 4-(aminomethyl)benzonitrile hydrochloride was 0.3 g/mL. | [References]
[1] Patent: US6392083, 2002, B1. Location in patent: Page column 6
[2] Patent: US6392083, 2002, B1. Location in patent: Page column 7 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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