ISOCYANIC ACID TERT-BUTYL ESTER
tert-Butyl isocyanate
CAS: 1609-86-5
Molecular Formula: C5H9NO
ISOCYANIC ACID TERT-BUTYL ESTER - Names and Identifiers
ISOCYANIC ACID TERT-BUTYL ESTER - Physico-chemical Properties
| Molecular Formula | C5H9NO |
| Molar Mass | 99.13 |
| Density | 0.868g/mLat 25°C(lit.) |
| Melting Point | 85.5°C |
| Boling Point | 85-86°C(lit.) |
| Flash Point | 24°F |
| Water Solubility | 1000g/L at 25℃ |
| Solubility | Chloroform (Soluble), DMSO (Slightly) |
| Vapor Presure | 79hPa at 20℃ |
| Appearance | Liquid |
| Color | Clear colorless |
| BRN | 969479 |
| Storage Condition | 2-8°C |
| Stability | Hygroscopic, Moisture Sensitive |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.386(lit.) |
| Physical and Chemical Properties |
|
| Use | Used as pesticide, pharmaceutical intermediates |
ISOCYANIC ACID TERT-BUTYL ESTER - Risk and Safety
| Risk Codes | R11 - Highly Flammable R14 - Reacts violently with water R22 - Harmful if swallowed R26 - Very Toxic by inhalation R34 - Causes burns R37 - Irritating to the respiratory system R42 - May cause sensitization by inhalation R36/37/38 - Irritating to eyes, respiratory system and skin. R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R10 - Flammable |
| 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S43 - In case of fire use ... (there follows the type of fire-fighting equipment to be used.) S30 - Never add water to this product. S7/9 - |
| UN IDs | UN 2484 6.1/PG 1 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-21 |
| TSCA | Yes |
| HS Code | 29291090 |
| Hazard Class | 6.1 |
| Packing Group | I |
ISOCYANIC ACID TERT-BUTYL ESTER - Nature
Open Data Verified Data
liquid. Melting point 85.5 °c. Density 0.8670G/cm3. Refractive index 4061.
Last Update：2024-01-02 23:10:35
ISOCYANIC ACID TERT-BUTYL ESTER - Preparation Method
Open Data Verified Data
derived from the interaction of N-butylamine with phosgene. N-butylamine and O-dichlorobenzene were added into the reactor, and under stirring, the dried hydrogen chloride gas was introduced until saturated, then excess phosgene was introduced at 110 N160 ℃, and the solution became clear and then was introduced for 20~30min, after completion, distillation, the fraction before 160 ° C. Is O-dichlorobenzene, and the fraction at 106-120 ° C. Is collected. Anhydrous sodium carbonate is added, stirred continuously, then left to stand, and filtered to obtain a finished product.
Last Update：2022-01-01 10:37:14
ISOCYANIC ACID TERT-BUTYL ESTER - Use
Open Data Verified Data
organic synthesis intermediates for the production of pesticides.
Last Update：2022-01-01 10:37:14
ISOCYANIC ACID TERT-BUTYL ESTER - Safety
Open Data Verified Data
- This product is toxic. Has a moderate degree of irritation to the skin and mucous membranes. For animals, the LD50 of mice was 150mg/kg, the LD50 of rats was 600mg/kg, and the LD50 of guinea pigs was 250mg/kg. In humans, a stimulating effect is felt at a concentration of 0.05mg/L. The maximum allowable concentration at work site is 1mg/m3.
- This product is packed in an iron drum with a net weight of 200kg. According to the provisions of the storage and transportation of toxic chemicals.
Last Update：2022-01-01 10:37:15
ISOCYANIC ACID TERT-BUTYL ESTER - Reference Information
| LogP | 0.4 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | organic synthesis intermediates for the production of pesticides. organic synthesis intermediates, used in the production of pesticides, as pesticides, pharmaceutical intermediates. |
| production method | is derived from the interaction of N-butylamine and phosgene. N-butylamine and O-dichlorobenzene were added into the reactor, and under stirring, the dried hydrogen chloride gas was introduced until saturated, then excess phosgene was introduced at 110-160 ℃, and then the solution was turned clear, and then the solution was introduced for 20-30min, distillation, collection of 160 deg C before the fraction of O-dichlorobenzene, collected 106-120 deg C fraction, add anhydrous sodium carbonate, after stirring and standing, filtered to obtain the finished product. |
Last Update：2024-04-09 19:05:08
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