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Isobutyrylchlorid
isobutyryl · 2-METHYLPROPANOYL CHLORIDE · IBCL · ISOBUTANOYLCHLORIDE · Isoburyryl chloride · 2-METHYLPROPIONYL CHLORIDE · ISOBUTRYL CHLORIDE · ISOBUTYRYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 79-30-1 |
|---|---|
| Summenformel | C4H7ClO |
| Durchschnittliche Molmasse | 106,55 g/mol |
| Monoisotopische Masse | 106,01854252 g/mol |
| SMILES | CC(C)C(=O)Cl |
| InChIKey | DGMOBVGABMBZSB-UHFFFAOYSA-N |
| PubChem CID | 62325 |
| EC No. | 201-194-1 |
| DTXSID | DTXSID0052542 |
| Lokaler Name | Isobutyrylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 58,6 |
| Stoffklassen | Toxic Gases & Vapors -> Acid HalidesFlammable agents - 3rd degree |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.[Alfa Aesar MSDS] |
| Schmelzpunkt | -90 °C (lit.) |
| Siedepunkt | 91-93 °C (lit.) |
| Dichte | 1.017 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.07 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.407(lit.) |
| Flammpunkt | 34 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Miscible with chloroform, glacial acetic acid, ether, toluene, methylene chloride and benzene.Reacts |
| Aggregatzustand | Liquid |
| Farbe | Clear |
| Geruch | Stench |
| pH | <7 (H2O) |
| Explosionsgrenze | 2.1-8.2%(V) |
| BRN | 605393 |
| InChI | 1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3 |
| InChIKey | DGMOBVGABMBZSB-UHFFFAOYSA-N |
| SMILES | CC(C)C(Cl)=O |
| CAS Datenbank | 79-30-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Methylpropanoyl chloride(79-30-1) |
| EPA chemische Informationen | Propanoyl chloride, 2-methyl- (79-30-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement) |
|---|---|
| Hazards Identification | Water-reactive material (WR) |
| Regulatorische Informationen | Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13467Isobutyryl chloride: Does not have an individual approval but may be used under an appropriate group standardThe 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 | Flammable Liquid Corrosive |
| Brandgefahren | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Gesundheitsgefahren | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:· TOXIC and/or CORROSIVEinhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. |
| Gefahrenübersicht | A severe eye irritantCauses focal lung fibrosis and acute pulmonary edema in inhalation lethal-concentration studies of rats[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| DOT-Nummer und Handbuch | 2395 155 |
| Reaktive Gruppe | Acyl Halides, Sulfonyl Halides, and Chloroformates |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | ISOBUTYRYL CHLORIDE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. |
| DOT Hazard Classification | Isobutyryl chlorideUN2395Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG II: the degree of danger presented by the material is medium |
| Air and Water Reactions | Highly flammable. Produces corrosive toxic fumes containing HCl on contact with moist air. Decomposes in water. |
| Brandbekämpfung | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
| 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.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA).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)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:Immediate precautionary measureWhen spilled in water |
| Toxic-by-Inhalation (TIH) Gas | HCl - when spill Isobutyryl chloride into water. |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: |
| Emergency Response Planning Guidelines | · Note: Most foams will react with the material and release corrosive/toxic gases. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Toxicity Data | LCLo (rat) = 11,600 mg/m3/4hr |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2395 |
| Zollcode | 29159080 |
| RTECS-Nr. | UC3944000 |
| R-Sätze (R) | 11-35-23 |
| Gefahrensymbole | F,C,T |
| hazard_note | Highly Flammable/Corrosive/Moisture Sensitive |
| Sicherheitshinweise (S) | 16-23-26-36-45-36/37/39-28A |
| Gefahrenklasse | 3Flam. Liq. 2Skin Corr. 1A |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | 325 °C |
Anwendungen & Verwendung
Verwenden
Isobutyryl chloride is used in the preparation of fully isobutyramide terminated hyperbranched polyethylenimines. It plays an important role in the separation and identification of shikonin and its ester derivatives in the root epidermis of Echium italicum L. It acts as an acylating agent for the ketimine derivatives of alfa-amino esters, nucleosides and pyrroles. Further, it is used in the preparation of organic peroxides. In addition to this, it is used as an intermediate for dyes, textile auxiliaries and peroxide compounds.