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| CAS No.: | 110-78-1 |
|---|---|
| Name: | Propyl isocyanate |
| Article Data: | 44 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7NO |
| Molecular Weight: | 85.1057 |
| Synonyms: | Isocyanicacid, propyl ester (6CI,7CI,8CI);1-Isocyanatopropane;1-Propyl isocyanate;NSC89688;n-Propyl isocyanate; |
| EINECS: | 203-803-6 |
| Density: | 0.874 g/cm3 |
| Melting Point: | -30 °C |
| Boiling Point: | 83.5 °C at 760 mmHg |
| Flash Point: | 0 °C |
| Solubility: | reacts vigorously with water |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 F,  Xn,  T+
|
| Risk Codes: | 11-20/21/22-37/38-41-42/43-42-34-26-22-14 |
| Safety: | 23-26-36/37/39-45-38-16 |
| Transport Information: | UN 2482 6.1/PG 1 |
| PSA: | 29.43000 |
| LogP: | 0.73220 |
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Chemistry
Molecular Formula: C4H7NO
Molar mass: 85.1045 g/mol
EINECS: 203-803-6
Density: 0.87 g/cm3
Flash Point: 132 °C
Index of Refraction: 1.42
Vapour Pressure: 83.9 mmHg at 25°C
Melting point: -30 °C
Storage temp: Flammables area
Water solubility: Reacts vigorously
Appearance: Clear yellow liquid with a pungent odor
Product categories: Organics;Organic Building Blocks;Isocyanates;Nitrogen Compounds
Structure of Propyl isocyanate (110-78-1):
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name: 1-Isocyanatopropane
SMILES: O=C=N/CCC
InChI: InChI=1/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey: OQURWGJAWSLGQG-UHFFFAOYAE
Std. InChI: InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
Std. InChIKey: OQURWGJAWSLGQG-UHFFFAOYSA-N
Uses
Propyl isocyanate (110-78-1) is the fungicide intermediate of Iprodione .
Production
Take Xylene and Isopropylamine input reactor, when the temperature dropped to below 15 °C, dropping Hydrochloric acid, and keep the temperature does not exceed 25°C, and heating azeotropic dehydration. Cooling to room temperature, the material transferred to isopropyl isocyanate reactor,and then take the temperature to 80°C; leading phosgene until the material shall be transparent and clear finish. Optical drive with nitrogen gas and hydrogen chloride, until the tail gas was neutral, and, after cooling to room temperature, the material transferred to distillation kettle, and collect 74 ~ 78°C distillate.
Toxicity Data With Reference
| 1. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02916 . |
Carcinogenicity of Propyl isocyanate (110-78-1) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.You can see actual entry in RTECS for complete information.
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous route. A flammable liquid when exposed to heat or flame, can react vigorously with oxidizing materials. When heated to decomposition it emits toxic fumes of NOx. See also ISOCYANATES.
Hazard Codes: F.gif){kind=small}
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Risk Statements:
11: Highly Flammable
14: Reacts violently with water
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
26: Very Toxic by inhalation
37: Irritating to the respiratory system
38: Irritating to the skin
41: Risk of serious damage to eyes
42: May cause sensitization by inhalation
43: May cause sensitization by skin contact
Safety Statements:
16: Keep away from sources of ignition - No smoking
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
38: In case of insufficient ventilation, wear suitable respiratory equipment
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid, Poison; DOT Class: 6.1; Label: Poison; DOT Class: 6.1; Label: Poison, Flammable Liquid; DOT Class: 3; Label: Flammable Liquid, Poison
Specification
Propyl isocyanate (110-78-1) also can be called 1-Propyl isocyanate ; Isocyanic acid, propyl estere ; 1-Isocyanatopropane ; n-Propyl isocyanate ; m-Propyl isocyanate .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: first,should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical aid . Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Do not induce vomiting.Wash mouth out with water,and get medical aid immediately.Notes to physician: Treat supportively and symptomatically.
In addition, Propyl isocyanate (110-78-1) is moisture sensitive, and reacts with water to form toxic fumes.It is not compatible with strong oxidizing agents, acids, strong bases, alcohols, amines, and you must not take it with ignition sources, excess heat, and incompatible materials, and not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: hydrogen cyanide,oxides of nitrogen,carbon dioxide,carbon monoxide.