HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Isopropylisocyanat
2-Isocyanatopropane · i-pic · 2-PROPYLISOCYANATE · Isopropylisocyanat · 2-isocyanato-propan · sopropyl isocyanete · Isorpopyl Isocyanate · ISOPROPYL ISOCYANATE
Identifikatoren & physikalische Daten
| CAS No. | 1795-48-8 |
|---|---|
| Summenformel | C4H7NO |
| Durchschnittliche Molmasse | 85,1 g/mol |
| Monoisotopische Masse | 85,05276385 g/mol |
| SMILES | CC(C)N=C=O |
| InChIKey | GSLTVFIVJMCNBH-UHFFFAOYSA-N |
| PubChem CID | 61277 |
| EC No. | 217-276-5 |
| DTXSID | DTXSID3061976 |
| Lokaler Name | Isopropylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 71 |
| Physical Description | Isopropyl isocyanate appears as a colorless liquid with a pungent odor. Insoluble in water. Very toxic by ingestion and inhalation. Vapors are heavier than air. Used to make other chemicals.Colorless liquid with a pungent odor[CAMEO] |
| Schmelzpunkt | <-75℃ |
| Siedepunkt | 74-75 °C(lit.) |
| Dichte | 0.866 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.382(lit.) |
| Flammpunkt | 27 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Soluble), Ethyl AcetateInsoluble |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 969356 |
| Stabilität | Hygroscopic, Light Sensitive, Moisture Sensitive, Volatile |
| CAS Datenbank | 1795-48-8(CAS DataBase Reference) |
| EPA chemische Informationen | Propane, 2-isocyanato- (1795-48-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H260 (52.5%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases]H301 (20.2%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (53.5%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (23.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (98.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (96%): Fatal if inhaled [Danger Acute toxicity, inhalation]H334 (27.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P223, P231+P232, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P335+P334, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P402+P404, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 198 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| Regulatorische Informationen | Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22506The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Poison Inhalation Hazard Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)polymerization hazard]:HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapors may travel to source of ignition and flash back. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. (ERG, 2024)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.· Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).· Vapors may travel to source of ignition and flash back.· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.· Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff.· Corrosives in contact with metals may evolve flammable hydrogen gas.· Containers may explode when heated or if contaminated with water. |
| Gesundheitsgefahren | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)polymerization hazard]:TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators (cause eye irritation and flow of tears). Reaction with water or moist air may release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.· Bromoacetates and chloroacetates are extremely irritating/lachrymators (cause eye irritation and flow of tears).· Reaction with water or moist air may release toxic, corrosive or flammable gases.· Reaction with water may generate much heat that will increase the concentration of fumes in the air.· Fire will produce irritating, corrosive and/or toxic gases.· Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. |
| Gefahrenübersicht | Very toxic by ingestion or inhalationHighly flammable[CAMEO] A lachrymator[CHEMINFO] See Methyl isocyanate. See MONOISOCYANATES. |
| DOT-Nummer und Handbuch | 2483 155P |
| Reaktive Gruppe | Isocyanates and Isothiocyanates |
| Reactivity Alerts | Highly FlammablePolymerizable |
| Reactivity Profile | Isocyanates and thioisocyanates, such as ISOPROPYL ISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)]. |
| DOT Hazard Classification | Isopropyl isocyanateUN2483Div 6.1 Poisonous materials (49 eCFR § 173.132)Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG I: the degree of danger presented by the material is greatFor more information about the packing group assignment, please visit 49 eCFR § 173 |
| Air and Water Reactions | Highly flammable. Insoluble in water. |
| Brandbekämpfung | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)polymerization hazard]:Note: Most foams will react with the material and release corrosive/toxic gases. CAUTION: For Acetyl chloride (UN1717), use CO2 or dry chemical only.SMALL FIRE: CO2, dry chemical, dry sand, alcohol-resistant foam.LARGE FIRE: Water spray, fog or alcohol-resistant foam. FOR CHLOROSILANES, DO NOT USE WATERuse alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Avoid aiming straight or solid streams directly onto the product.FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024) |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· Keep unauthorized personnel away.· Stay upwind, uphill and/or upstream.· Ventilate closed spaces before entering, but only if properly trained and equipped.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.· All equipment used when handling the product must be grounded.· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.· Stop leak if you can do it without risk.· A vapor-suppressing foam may be used to reduce vapors.· FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors.· DO NOT GET WATER on spilled substance or inside containers.· Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material.· Prevent entry into waterways, sewers, basements or confined areas.Small Spill· Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain.· Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. |
| Erste Hilfe | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)polymerization hazard]:Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. (ERG, 2024)General First Aid:· Call 911 or emergency medical service.· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.· Move victim to fresh air if it can be done safely.· Administer oxygen if breathing is difficult.· If victim is not breathing:-- DO NOT perform mouth-to-mouth resuscitationthe victim may have ingested or inhaled the substance.-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.· Remove and isolate contaminated clothing and shoes.· For minor skin contact, avoid spreading material on unaffected skin.· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.· For severe burns, immediate medical attention is required.· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.· Keep victim calm and warm.· Keep victim under observation.· For further assistance, contact your local Poison Control Center.· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.Specific First Aid:· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA).· Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE.· Structural firefighters' protective clothing provides thermal protection but only limited chemical protection.TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016]. |
| Freisetung ohne Brand | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)polymerization hazard]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. A vapor-suppressing foam may be used to reduce vapors. FOR CHLOROSILANES, use alcohol-resistant foam to reduce vapors. DO NOT GET WATER on spilled substance or inside containers. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Prevent entry into waterways, sewers, basements or confined areas.SMALL SPILL: Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. (ERG, 2024) |
| Isolation and Evacuation | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)polymerization hazard]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: See ERG Table 1 - Initial Isolation and Protective Action Distances on the UN/NA 2483 datasheet.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)Immediate precautionary measure· Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.· For highlighted materials: see Table 1 - Initial Isolation and Protective Action Distances.· For non-highlighted materials: increase the immediate precautionary measure distance, in the downwind direction, as necessary.· If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions.Small spill:- ISOLATE in all directions: 150 m (500 ft)Large spill:- ISOLATE in all directions: 1000 m (3000 ft)- PROTECT people from downwind during DAY time: 1.5 km (1.0 mi)- PROTECT people from downwind during NIGHT time: 3.3 km (2.1 mi)- PROTECT people from downwind during DAY time: 11.0+ km (7.0+ mi)- PROTECT people from downwind during NIGHT time: 11.0+ km (7.0+ mi) |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)polymerization hazard]:Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024) |
| Emergency Response Planning Guidelines | · Note: Most foams will react with the material and release corrosive/toxic gases.CAUTION: For Acetyl chloride (UN1717), use CO2 or dry chemical only.Small Fire· CO2, dry chemical, dry sand, alcohol-resistant foam.Large Fire· Water spray, fog or alcohol-resistant foam.· FOR CHLOROSILANES, DO NOT USE WATERuse alcohol-resistant foam.· If it can be done safely, move undamaged containers away from the area around the fire.· Avoid aiming straight or solid streams directly onto the product.Fire Involving Tanks, Rail Tank Cars or Highway Tanks· Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.· Do not get water inside containers.· Cool containers with flooding quantities of water until well after fire is out.· Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.· ALWAYS stay away from tanks in direct contact with flames. |
| Acute Exposure Guideline Levels (AEGLs) | The compound is currently at the Holding Status AEGLs which have been reviewed by the NAC/AEGL Committee and are on hold due to insufficient data to develop AEGL values. |
| AEGLs Notes | AEGLs Status: Holding |
| Unerwünschte Wirkungen | Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2483 |
| Zollcode | 29291090 |
| R-Sätze (R) | 11-26-36/37/38-42 |
| Gefahrensymbole | F,T+,Xi |
| Sicherheitshinweise (S) | 16-23-26-36/37/39-45 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | I |
Anwendungen & Verwendung
Verwenden
Isopropyl isocyanate is used as a reagent in the preparation of androgen receptor antagonist for prostate cancer treatment. It is also used in the synthesis of selective dual inhibitor of mammalian target of rapamycin (mTORC1 and mTORC2). Further, it serves as a reagent in the synthesis of O-aryl N-isopropylcarbamates. In addition to this, it is used as a derivatization reagent during the stereoisomeric analysis of secondary alcohols.