HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Isocyanatobutan
N-BUTYL ISOCYANATE · BIC · 1-Isocyanatobutane · nbi · ISOCYANATOBUTANE · 1-BUTYL ISOCYANATE · ISOCYANIC ACID BUTYL ESTER · n-bic
Identifikatoren & physikalische Daten
| CAS No. | 111-36-4 |
|---|---|
| Summenformel | C5H9NO |
| Durchschnittliche Molmasse | 99,13 g/mol |
| Monoisotopische Masse | 99,06841391 g/mol |
| SMILES | CCCCN=C=O |
| InChIKey | HNHVTXYLRVGMHD-UHFFFAOYSA-N |
| PubChem CID | 8110 |
| ChEMBL | CHEMBL27104 |
| ChEBI | CHEBI:136519 |
| EC No. | 203-862-8 |
| DTXSID | DTXSID6026872 |
| Lokaler Name | 1-Isocyanatobutan |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 74,1 |
| Stoffklassen | Toxic Gases & Vapors -> MonoisocyanatesFlammable agents - 3rd degree |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Dichte | 0.880 g/cu cm at 20 °CIsocyanates...are highly reactive and undergo addition reactions across the carbon-nitrogen double bond of the NCO group. Reactions with alcohols, carboxylic acids, and amines have been widely exploited...The basis for the high reactivity of the isocyanates is the low electron density of the central carbon...Electron withdrawing or donating substituents alter the electrophilic nature of the isocyanate...The reactivity of the isocyanates is also manifested in their tendency to react with themselves to form dimers, trimers, or higher oligomers and polymers. /Isocyanates/0.9 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.050.88 @ 20°C0.88 g/mL at 25 °C(lit.) |
| Color/Form | Colorless liquid |
| Löslichkeit | SLIGHTLY SOL IN WATERSolubility in water: reaction |
| Flammpunkt | 66 °F (NFPA, 2010)66 °F (19 °C) (Closed cup)11 °C c.c.64 °F |
| Siedepunkt | 115 °C115 °C @760 [mm Hg]115 °C(lit.) |
| Decomposition | Energy of decomposition (in range 160 to 450 °C) measured as 0.55 kJ/g. |
| Schmelzpunkt | -75 °C85.5℃ |
| Dampfdichte | 3.00 (Air= 1)Relative vapor density (air = 1): 3.43 (vs air) |
| Dampfdruck | 17.6 [mmHg]Vapor pressure, kPa at 20 °C: 2.110.6 mm Hg ( 20 °C) |
| Surface Tension | 4.9729X10-2 N/m at 193 K |
| Brechungsindex | n20/D 1.406(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Colorless |
| Explosionsgrenze | 1.3-10% (v/v) |
| Merck | 13,1574 |
| BRN | 773917 |
| InChIKey | HNHVTXYLRVGMHD-UHFFFAOYSA-N |
| CAS Datenbank | 111-36-4(CAS DataBase Reference) |
| NIST chemische Informationen | Butane, 1-isocyanato-(111-36-4) |
| EPA chemische Informationen | Butyl isocyanate (111-36-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH224 (13.6%): Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 118 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids] |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| Regulatorische Informationen | Chemical: Butane, 1-isocyanato-Butane, 1-isocyanato- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 1-isocyanato- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 15-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17852Butane, 1-isocyanato-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.The 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.Highly flammable. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive. |
| Gesundheitsgefahren | Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive) |
Anwendungen & Verwendung
Verwenden
n-Butyl isocyanate is used as an acylatingagent in the Friedel–Crafts reaction to produce amide.