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1-Chlor-2-methylpropan
ISOBUTYL CHLORIDE · 3-CHLORO-2-METHYLPROPANE · Chloroisobutane · 2-Chloromethylpropane · iso-C4H9Cl · Isobutylchlorid · 1-CHLOROISOBUTANE · iso-Chloro-butane
Identifikatoren & physikalische Daten
| CAS No. | 513-36-0 |
|---|---|
| Summenformel | C4H9Cl |
| Durchschnittliche Molmasse | 92,57 g/mol |
| Monoisotopische Masse | 92,03927797 g/mol |
| SMILES | CC(C)CCl |
| InChIKey | QTBFPMKWQKYFLR-UHFFFAOYSA-N |
| PubChem CID | 10554 |
| ChEMBL | CHEMBL160966 |
| EC No. | 208-157-9 |
| DTXSID | DTXSID4060153 |
| Lokaler Name | 1-Chlor-2-methylpropan |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 17,6 |
| Stoffklassen | Flammable agents - 3rd degree |
| Solvents | Solvents -> Chlorinated Aliphatics |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 2.39 |
| Dichte | Relative density (water = 1): 0.90.881 @ 20°C0.883 g/mL at 25 °C (lit.) |
| Löslichkeit | Solubility in water: noneH2O: insoluble28 mg/l (20 ºC) |
| Flammpunkt | -10 °C70 °F |
| Siedepunkt | 69 °C68.8 °C @760 [mm Hg]68-69 °C (lit.) |
| Schmelzpunkt | -131 °C-131 °C (lit.) |
| Dampfdichte | Relative vapor density (air = 1): 3.2 |
| Dampfdruck | 150.0 [mmHg]161 hPa (20 °C) |
| Physical Description | Colorless liquid[ICSC]COLOURLESS LIQUID. |
| Brechungsindex | n20/D 1.398(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Colorless to Almost colorless |
| Explosionsgrenze | 2.0-8.8%(V) |
| Merck | 14,5138 |
| BRN | 635650 |
| Henry-Konstante | 8.3×10-3 mol/(m3Pa) at 25℃, Mackay and Shiu (1981) |
| Dielektrizitätskonstante | 7.1(20℃) |
| InChI | 1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3 |
| InChIKey | QTBFPMKWQKYFLR-UHFFFAOYSA-N |
| SMILES | CC(C)CCl |
| Oberflächenspannung | 22.31mN/m at 293.15K |
| CAS Datenbank | 513-36-0(CAS DataBase Reference) |
| NIST chemische Informationen | Propane, 1-chloro-2-methyl-(513-36-0) |
| EPA chemische Informationen | Propane, 1-chloro-2-methyl- (513-36-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.2% (2 of 165) of reports.DangerH225 (98.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 165 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Propane, 1-chloro-2-methyl-Status: Active Update: 13-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/207381-Chloro-2-methylpropane: 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.) |
| Brandgefahren | Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
| Gefahrenübersicht | No listed effects of short-term or long-term exposure[ICSC] An irritant[Alfa Aesar MSDS] See n-Butyl chloride. |
| UN-Einstufung | UN Hazard Class: 3UN Pack Group: II |
| Chemical Dangers | Decomposes on burning. This produces toxic and corrosive fumes including hydrogen chloride (see ICSC 0163) and phosgene (see ICSC 0007). Reacts violently with strong oxidants and powdered metals. This generates fire and explosion hazard. |
| Physical Dangers | The vapour is heavier than air and may travel along the grounddistant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated. |
| Hazard Classes and Categories | Flam. Liq. 2 (98.8%)Flammable agents - 3rd degree |
| Lower Explosive Limit (LEL) | 20000 [ppm] |
| Explosive Limits and Potential | Explosive limits , vol% in air: 2.0-8.8 |
| Brandbekämpfung | Use powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest.Remove contaminated clothes. Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention . |
| Sichere Lagerung | Fireproof. Separated from powdered metals and strong oxidants. |
| Verschüttetes entsorgen | Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Eye Prevention | Wear safety spectacles. |
| Fire Prevention | NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Prevent build-up of electrostatic charges (e.g., by grounding). Do NOT use compressed air for filling, discharging, or handling. |
| Inhalation Risk | No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C. |
| Skin Prevention | Protective gloves. |
| Ingestion Prevention | Do not eat, drink, or smoke during work. |
| Inhalation Prevention | Use ventilation, local exhaust or breathing protection. |
| Protective Action Criteria (PAC) | 6.0 [ppm]25 [ppm]340 [ppm] |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1127 3/PG 2 |
| Zollcode | 29031990 |
| R-Sätze (R) | 11 |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) | 16-9-33-29 |
| Gefahrenklasse | 3Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
| Selbstentzündungstemperatur | 395 °C |
Anwendungen & Verwendung
Verwenden
1-Chloro-2-methylpropane is used to prepare an organometllic compound, isobutyllithium by reacting with lithium using petroleum ether as a solvent.