Introduction：Basic information about CAS 2627-27-2|3-Phenylpropyl isothiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Phenylpropyl isothiocyanate |
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| CAS Number | 2627-27-2 | Molecular Weight | 177.27 |
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| Density | 1.07 | Boiling Point | 156 °C |
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| Molecular Formula | C10H11NS | Melting Point | / |
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| MSDS | / | Flash Point | 156-160°C/12mm |
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Names
| Name | 3-isothiocyanatopropylbenzene |
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| Synonym | More Synonyms |
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3-Phenylpropyl isothiocyanate BiologicalActivity
| Description | 3-Phenylpropyl isothiocyanate has a stronger inhibitory effect on N-nitrosomethyl-benzylamine (NMBA) tumorigenesis. 3-Phenylpropyl isothiocyanate has chemopreventive effects[1][2]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
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| In Vivo | 3-Phenylpropyl isothiocyanate (5, 1, or 0.2 µmol; gavage; A/J mice; daily for 4 consecutive days prior to administration of 10 µmol of NNK by i.p. injection) effectively inhibited NNK-induced lung tumors. |
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| References | [1]. Morse MA, et al. Structure-activity relationships for inhibition of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone lung tumorigenesis by arylalkyl isothiocyanates in A/J mice. Cancer Res. 1991;51(7):1846-1850. [2]. Nishikawa A, et al. Chemopreventive effects of 3-phenylpropyl isothiocyanate on hamster lung tumorigenesis initiated with N-nitrosobis(2-oxopropyl)amine. Jpn J Cancer Res. 1996;87(2):122-126. |
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Chemical & Physical Properties
| Density | 1.07 |
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| Boiling Point | 156 °C |
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| Molecular Formula | C10H11NS |
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| Molecular Weight | 177.27 |
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| Flash Point | 156-160°C/12mm |
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| Exact Mass | 177.06100 |
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| PSA | 44.45000 |
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| LogP | 2.72200 |
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| Vapour Pressure | 0.00302mmHg at 25°C |
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| Index of Refraction | 1.5780 |
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| InChIKey | GRUOGLPIAPZLHJ-UHFFFAOYSA-N |
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| SMILES | S=C=NCCCc1ccccc1 |
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Safety Information
| Risk Phrases | R20/21/22;R34 |
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| Safety Phrases | S26-S36/37/39-S45 |
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| RIDADR | 2927 |
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| Packaging Group | III |
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| Hazard Class | 8 |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| EINECS 220-094-9 |
| 3-phenylpropyl-isothiocyanate |
| MFCD00041134 |
| PPITC |
| 3-Phenylpropylisothiocyanat |
| Phenylpropyl isothiocyanate |
