Introduction:Basic information about CAS 706-03-6|3-(benzylamino)propionitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(benzylamino)propionitrile |
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| CAS Number | 706-03-6 | Molecular Weight | 160.21600 |
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| Density | 1.02 | Boiling Point | 301.4ºC at 760 mmHg |
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| Molecular Formula | C10H12N2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | >230 °F |
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| Symbol | GHS07 | Signal Word | Warning |
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Names
| Name | 3-(benzylamino)propionitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.02 |
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| Boiling Point | 301.4ºC at 760 mmHg |
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| Molecular Formula | C10H12N2 |
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| Molecular Weight | 160.21600 |
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| Flash Point | >230 °F |
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| Exact Mass | 160.10000 |
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| PSA | 35.82000 |
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| LogP | 2.08078 |
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| Appearance of Characters | Liquid |
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| Index of Refraction | n20/D 1.5308(lit.) |
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| InChIKey | MWTGBAURSCEGSL-UHFFFAOYSA-N |
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| SMILES | N#CCCNCc1ccccc1 |
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| Water Solubility | Soluble in DMSO. |
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Safety Information
| Symbol | GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302 + H312 + H332-H315-H319-H335 |
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| Precautionary Statements | P261-P280-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S23 |
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| RIDADR | UN3276 |
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| WGK Germany | 3 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Articles3
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| A Practical and Efficient Synthesis of (3 R, 4 S)-1-Benzyl-4-phenylpyrrolidine-3-carboxylic acid via an Aziridinium Ion Intermediate. Ohigashi A, et al. Org. Process Res. Dev. 14(1) , 127-32, (2009)
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| 1-{[Benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester. Herrag L, et al. Molbank 1006(5) , M494, (2006)
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| 3-[Benzyl-(1, 5-dimethyl-1H-pyrazol-3-ylmethyl)-amino]-propionitrile. Herrag L, et al. Molbank 2006(5) , M496, (2006)
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Synonyms
| 3-(benzylamino)propanenitrile |
| EINECS 211-890-7 |
| MFCD00001955 |