CAS Number622-78-6
SynonymsMFCD00004819; (Isothiocyanatomethyl)benzene; a-Isothiocyanatotoluene; EINECS 210-753-9; Benzyl isothiocyanate
Molecular FormulaC6H5CH2NCS
Molecular Weight149.21
Purity98%
Density1.0±0.1 g/cm3
Boiling Point242-243 °C (lit.)
Melting Point41 °C
Appearanceliquid
EINECS210-753-9
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 622-78-6 |
| Catalog No. | 2A-9007178 |
| Chinese Name | 异硫氰酸苄酯 |
| Synonyms | MFCD00004819; (Isothiocyanatomethyl)benzene; a-Isothiocyanatotoluene; EINECS 210-753-9; Benzyl isothiocyanate |
| Molecular Formula | C6H5CH2NCS |
| Molecular Weight | 149.21 |
| Purity | 98 |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 242-243 °C (lit.) |
| Melting Point | 41 °C |
| Appearance | liquid |
| Storage Condition | Store in a container filled with dry inert gas and |
| Packaging | III |
| Application | Benzyl isothiocyanate is a natural isothiocyanate with bactericidal activity. Benzyl isothiocyanate can effectively inhibit the migration, migration and invasiveness and MMP-2 activity of mouse melano |
| EINECS | 210-753-9 |
| HTC | 20/21/22-36/37/38-42/43 |
| UN(IATA) | 26-36/37/39 |
| PubChem ID | 24855213 |
| MDL Number | MFCD00004819 |
| SMILES | S=C=NCc1ccccc1 |
| InChI | 1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChI Key | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| Beilstein/REAXYS | 386135 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 8 |
| Risk Codes | Xn |
| COA | 3334 |
| MSDS | msds/7178_1_622_78_6.pdf |
| Bioactivity | Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer Research Areas >> Endocrinology Signaling Pathways >> Anti-infection >> Bacterial References [1]. Abdel-Kader MS, et al. Quantitative Analysis of Benzyl Isothiocyanate in Salvadora persica Extract and Dental Care Herbal Formulations Using Reversed Phase C18 High-Performance Liquid Chromatography Method. Pharmacogn Mag. 2017 Oct;13(Suppl 3):S412-S416. [2]. Lai KC, et al. Benzyl isothiocyanate and phenethyl isothiocyanate inhibit murine melanoma B16F10 cell migration and invasion in vitro. Int J Oncol. 2017 Sep;51(3):832-840. Chemical & Physical Properties Density 1.0±0.1 g/cm3 Boiling Point 243.8±9.0 °C at 760 mmHg Melting Point 41 °C Molecular Formula C8H7NS Molecular Weight 149.213 Flash Point 100.4±26.5 °C Exact Mass 149.029922 PSA 44.45000 LogP 3.02 Vapour Pressure 0.0±0.5 mmHg at 25°C Index of Refraction 1.560 InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N SMILES S=C=NCc1ccccc1 |
| Use of | Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Properties Articles37 Name benzyl isothiocyanate Synonym More Synonyms a-Isothiocyanatotoluene Biological Activity Description Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer Research Areas >> Endocrinology Signaling Pathways >> Anti-infection >> Bacterial References [1]. Abdel-Kader MS, et al. Quantitative Analysis of Benzyl Isothiocyanate in Salvadora persica Extract and Dental Care Herbal Formulations Using Reversed Phase C18 High-Performance Liquid Chromatography Method. Pharmacogn Mag. 2017 Oct;13(Suppl 3):S412-S416. Chemical & Physical Properties Molecular Formula C8H7NS Exact Mass 149.029922 PSA 44.45000 Index of Refraction 1.560 InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: Category 9 Miscellaneous UN number: 3082 Proper shipping name: Environmentally Hazardous Substance, Liquid, Not Otherwise Specified Packing grade: III Marine pollutants: Y |
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