CAS Number5697-44-9
SynonymsEINECS 227-173-7; MFCD00039487; 2-(4-methylphenyl)sulfonylacetonitrile; [(4-Methylphenyl)sulfonyl]acetonitrile; Tosylmethyl Isocyanide-; p-Toluenesulfonylacetonitrile; p-Tolylsulfonylacetonitrile; 2-[(4-methylphenyl)sulfonyl]acetonitrile
Molecular FormulaC9H9O2N1S1
Molecular Weight195.24
Purity98.00%
Density1.2±0.1 g/cm3
Boiling Point400.9±45.0 °C at 760 mmHg
Melting Point147-151 °C
AppearanceOff-white crystalline powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 5697-44-9 |
| Catalog No. | 2A-9032075 |
| Chinese Name | 对甲苯磺酰乙腈 |
| Synonyms | EINECS 227-173-7; MFCD00039487; 2-(4-methylphenyl)sulfonylacetonitrile; [(4-Methylphenyl)sulfonyl]acetonitrile; Tosylmethyl Isocyanide-; p-Toluenesulfonylacetonitrile; p-Tolylsulfonylacetonitrile; 2-[(4-methylphenyl)sulfonyl]acetonitrile |
| Molecular Formula | C9H9O2N1S1 |
| Molecular Weight | 195.24 |
| Purity | 98.00 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 400.9±45.0 °C at 760 mmHg |
| Melting Point | 147-151 °C |
| Appearance | Off-white crystalline powder |
| Storage Condition | room temperature |
| Packaging | III |
| HTC | 2926909090 |
| MDL Number | MFCD00039487 |
| SMILES | Cc1ccc(S(=O)(=O)CC#N)cc1 |
| InChI | InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3 |
| InChI Key | BBNNLJMGPASZPD-UHFFFAOYSA-N |
| Hazard Symbols | 6.1 |
| MSDS | msds/32075_1_5697_44_9.pdf |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: Item 1 Poisons. UN number: 3439 Proper shipping name: Nitrile, Solid, Toxic, Not otherwise specified Packing grade: III |
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