HYLENE PARA-PHENYLENEDIISOCYANATE (PPDI)
butyl isocyanate
CAS: 111-36-4
Molecular Formula: C5H9NO
HYLENE PARA-PHENYLENEDIISOCYANATE (PPDI) - Names and Identifiers
| Name | butyl isocyanate |
| Synonyms | Butylisocyanat butyl isocyanate Isocyanatobutane n-butyl isocynate N-BUTYL ISOCYANATE 1-isocyanatobutane n-Butyl isocyanate 1-Butyl isocyanate BUTYL ISOCYANATE, STAB. 1-bromo-4-isocyanatobenzene HYLENE PARA-PHENYLENEDIISOCYANATE (PPDI) |
| CAS | 111-36-4 |
| EINECS | 203-862-8 |
| InChI | InChI=1/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey | HNHVTXYLRVGMHD-UHFFFAOYSA-N |
HYLENE PARA-PHENYLENEDIISOCYANATE (PPDI) - Physico-chemical Properties
| Molecular Formula | C5H9NO |
| Molar Mass | 99.13 |
| Density | 0.88g/mLat 25°C(lit.) |
| Melting Point | 85.5℃ |
| Boling Point | 115°C(lit.) |
| Flash Point | 64°F |
| Vapor Presure | 10.6 mm Hg ( 20 °C) |
| Vapor Density | 3 (vs air) |
| Appearance | Liquid |
| Color | Colorless |
| Exposure Limit | No exposure limit is set for this compound.On the basis of its low inhalation toxicity, aTLV-TWA value of 8 mg/m3 (2 ppm) can besafely ascribed. |
| Merck | 13,1574 |
| BRN | 773917 |
| Storage Condition | 2-8°C |
| Sensitive | Moisture Sensitive |
| Refractive Index | n20/D 1.406(lit.) |
| Physical and Chemical Properties | Physical and chemical properties: Boiling point 115 ℃, relative density 0.880 (20 ℃), refractive index 1.4061, flash point 26 ℃. This product is toxic. |
| Use | Used as medicine, pesticide intermediates; This product is used for the production of fungicide benomyl. The drug is a broad-spectrum, systemic fungicide, with protection, eradication and treatment, can control a variety of crop diseases. |
HYLENE PARA-PHENYLENEDIISOCYANATE (PPDI) - Risk and Safety
| Risk Codes | R11 - Highly Flammable R21/22 - Harmful in contact with skin and if swallowed. R26 - Very Toxic by inhalation R34 - Causes burns R37 - Irritating to the respiratory system R42/43 - May cause sensitization by inhalation and skin contact. |
| Safety Description | S23 - Do not breathe vapour. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. 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.) |
| UN IDs | UN 2485 6.1/PG 1 |
| WGK Germany | 1 |
| RTECS | NQ8250000 |
| FLUKA BRAND F CODES | 10-19-21 |
| TSCA | Yes |
| HS Code | 29291090 |
| Hazard Class | 6.1(a) |
| Packing Group | I |
| Toxicity | LC50 (4hr) in male, female rats (mg/m3): 60, 55 by inhalation (Pauluhn, Eben) |
HYLENE PARA-PHENYLENEDIISOCYANATE (PPDI) - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | used as intermediate of medicine, pesticide and dye n-butyl isocyanate is an intermediate of fungicide benomyl, N-butyl isocyanate should be used as the catalyst in the preparation of sulfonylurea herbicides by phosgene method, so that the reaction is stable and the yield is high. organic synthesis intermediate, used in the production of fungicide phillite. used as intermediate of medicine and pesticide used in the production of fungicide benomyl. The drug is a broad-spectrum, systemic fungicide, with protection, eradication and treatment, can control a variety of crop diseases. |
| production method | is derived from the interaction of N-butylamine and phosgene. N-butylamine and O-dichlorobenzene were added into the reactor, and the dry hydrogen chloride gas was passed through with stirring until saturated, then excess phosgene was passed through at 110-160 ℃, and the solution was turned clear and then passed through for 20-30min, the fraction before 160 ° C. Was collected, and then subjected to distillation to collect the fraction at 106-120 ° C., and anhydrous potassium carbonate was added to stand and filtered to obtain a finished product. In addition, from the role of butyl bromide and potassium cyanate in organic solvents (dimethyl formamide), can also be prepared. The preparation method is to put the calculated amount of xylene and N-butylamine in the reaction kettle, Dropwise add concentrated hydrochloric acid at room temperature, Dropwise add 1H, and then reflux water about 8H, after the temperature rises to 140 ℃ and the formation of salt is completed, the temperature is slightly lowered and the reaction is started with phosgene, Reflux reaction is continued for 2H after passing the phosgene, then nitrogen is passed to remove the excess phosgene, and the reaction is lowered to room temperature, the product was obtained by collecting the 114-116 ° C. Fraction by rectification of the feed solution. |
| category | flammable liquid |
| toxicity grade | high toxicity |
| Acute toxicity | oral-rat LD50: 600 mg/kg; Oral-mouse LD50: 150 mg/kg |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | flammable; Thermal decomposition of toxic NOx fumes |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, carbon dioxide; 1211; Foam |
| Occupational Standard | TWA 0.5 mg/m3; Tel 1 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:48:19
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