Introduction：Basic information about CAS 5537-71-3|3-(1-Cyanoethyl)benzoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-(1-Cyanoethyl)benzoic acid |
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| CAS Number | 5537-71-3 | Molecular Weight | 175.184 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 355.8±25.0 °C at 760 mmHg |
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| Molecular Formula | C10H9NO2 | Melting Point | 143-145 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 169.0±23.2 °C |
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| Symbol |
GHS05, GHS07 | Signal Word | Danger |
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Names
| Name | 3-(1-cyanoethyl)benzoic acid |
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| Synonym | More Synonyms |
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3-(1-Cyanoethyl)benzoic acid BiologicalActivity
| Description | 3-(1-Cyanoethyl)benzoic acid (DF2107Y) is a benzoic acid that can be used to screen cobalt containing nitrile hydratases (NHases)[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. S van Pelt, et al. Probing the enantioselectivity of a diverse group of purified cobalt-centred nitrile hydratases. Org Biomol Chem. 2011 Apr 21;9(8):3011-9. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 355.8±25.0 °C at 760 mmHg |
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| Melting Point | 143-145 °C(lit.) |
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| Molecular Formula | C10H9NO2 |
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| Molecular Weight | 175.184 |
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| Flash Point | 169.0±23.2 °C |
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| Exact Mass | 175.063324 |
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| PSA | 61.09000 |
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| LogP | 1.47 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.564 |
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| InChIKey | IRYIYPWRXROPSX-UHFFFAOYSA-N |
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| SMILES | CC(C#N)c1cccc(C(=O)O)c1 |
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Safety Information
| Symbol |
GHS05, GHS07 |
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| Signal Word | Danger |
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| Hazard Statements | H302-H317-H318 |
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| Precautionary Statements | P280-P305 + P351 + P338 |
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| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R41;R43 |
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| Safety Phrases | S26-S36/37/39-S36/37/38 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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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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Articles1
More Articles
| Probing the enantioselectivity of a diverse group of purified cobalt-centred nitrile hydratases. Org. Biomol. Chem. 9(8) , 3011-9, (2011) In this study a diverse range of purified cobalt containing nitrile hydratases (NHases, EC 4.2.1.84) from Rhodopseudomonas palustris HaA2 (HaA2), Rhodopseudomonas palustris CGA009 (009), Sinorhizobium... | |
Synonyms
| 3-(1-Cyanoethyl)benzoic acid |
| UNII:3PN2M0G40N |
| m-(1-Cyanoethyl)benzoic acid |
| EINECS 226-897-0 |
| Benzoic acid, 3-(1-cyanoethyl)- |
| MFCD00002520 |
