Isothiocyanato-2-propane
isopropyl isothiocyanate
CAS: 2253-73-8
Molecular Formula: C4H7NS
Isothiocyanato-2-propane - Names and Identifiers
| Name | isopropyl isothiocyanate |
| Synonyms | IPNCS Isopropyl isothiocya 2-isothiocyanatopropane isopropyl isothiocyanate ISOPROPYL ISOTHIOCYANATE Isothiocyanato-2-propane 2-ISOTHIOCYANATO-PROPANE Propane, 2-isothiocyanato- ISOTHIOCYANIC ACID ISOPROPYL ESTER |
| CAS | 2253-73-8 |
| EINECS | 218-851-3 |
| InChI | InChI=1/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3 |
Isothiocyanato-2-propane - Physico-chemical Properties
| Molecular Formula | C4H7NS |
| Molar Mass | 101.17 |
| Density | 0.948 g/mL at 25 °C (lit.) |
| Melting Point | 168-170 °C |
| Boling Point | 29-30 °C/10 mmHg (lit.) |
| Flash Point | 104°F |
| JECFA Number | 1888 |
| Water Solubility | Miscible with methanol. Hydrolyzes in water. |
| Vapor Presure | 7.58mmHg at 25°C |
| Appearance | clear liquid |
| Specific Gravity | 0.95 |
| Color | Colorless to Light orange to Yellow |
| BRN | 1739163 |
| Storage Condition | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.493(lit.) |
Isothiocyanato-2-propane - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S38 - In case of insufficient ventilation, wear suitable respiratory equipment. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S28A - |
| UN IDs | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| HS Code | 29309090 |
| Hazard Class | 8 |
| Packing Group | III |
Isothiocyanato-2-propane - Reference Information
| FEMA | 4425 | ISOPROPYL ISOTHIOCYANATE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| introduction | isopropyl isothiocyanate belongs to isothiocyanate compounds. Isothiocyanate is a kind of important organic synthesis intermediates, which can be used to synthesize many nitrogen-containing and sulfur-containing heterocyclic compounds. Most of these heterocyclic compounds have biological activities, such as antibacterial, insecticidal, and herbicidal in pesticides. It is used for antibacterial, anti-inflammatory and cancer treatment in medicine. Isothiocyanate is also used as a derivatization reagent for the determination of the order of amino acids in peptides and proteins by the Edman method or Schlack-Kumpf method and as a fluorescein marker. |
| use | isopropyl isothiocyanate is an antimicrobial agent. |
| preparation method | (1) after inhaling 1kg of liquid alkali (NaOH aqueous solution) with a mass fraction of 30% in a reaction kettle, adding 0.7kg of water for dilution, starting stirring, adding 0.60kg of carbon disulfide, controlling the temperature between 20 ℃ and 25 ℃, adding 0.45kg of isopropylamine dropwise, and keeping the temperature for 1h, the temperature of the reaction kettle was increased to 60 ℃ ~ 80 ℃, and the reaction was carried out for 2 hours to obtain mixed solution A. The main substance in the mixed solution A was N,N'-diisopropyl thiourea salt. (2) preheating another reaction kettle to 90 ℃ ~ 100 ℃, adding mixed solution A and 1.40kg of hydrogen peroxide (the mass fraction of hydrogen peroxide is 30%) to the reaction kettle at constant temperature for 2h ~ 3h, in this process, N,N'-diisopropyl thiourea salt is oxidized to isopropyl isothiocyanate to obtain mixed solution B. The mixed solution B is distilled at 120 ℃ ~ 125 ℃ to obtain 0.39kg of crude oil phase of isopropyl isothiocyanate. |
Last Update：2024-04-10 22:29:15
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