1-Chlorethylchlorformiat
1-Chloroethyl chloroformate
Grundinformationen
- CAS
50893-53-3- Standard-SMILES
CC(Cl)OC(=O)Cl- InChIKey
QOPVNWQGBQYBBP-UHFFFAOYSA-N- Summenformel
- C3H4Cl2O2
- Durchschnittliche Molmasse
- 142,97 g/mol
- Monoisotopische Masse
- 141,9588348
Namen und Bezeichner
- Bevorzugter Name
- 1-Chloroethyl chloroformate
- IUPAC
- 1-chloroethyl carbonochloridate
- Lokaler Name
- 1-Chlorethylchlorformiat
- Englischer Name
- 1-Chloroethyl chloroformate
- Summenformel
- C3H4Cl2O2
- Molmasse
- 142.97
Namen und Synonyme
1-Chloroethyl chloroformate50893-53-3alpha-Chloroethyl chloroformate.alpha.-Chloroethyl chloroformateQOPVNWQGBQYBBP-UHFFFAOYSA-EINECS 256-834-2RefChem:75448UN2742256-834-2InChI=1/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3QOPVNWQGBQYBBP-UHFFFAOYSA-N1-chloroethyl carbonochloridate
Weitere Namen anzeigen
α-Chloroethyl ChloroformateRELU-012Chloroethyl 1-chloroformatea-Chloroethoxycarbonyl chloride1-ChL1-Chlorethylchlorformiat
Chloroformic Acid 1-Chloroethyl EsterCarbonochloridic acid, 1-chloroethyl esterACE-Cl1-CHLOROETHYLCHLOROFORMATE1-chlorocarbonyloxy-1-chloroethanea-chloroethyl chloroformateMFCD000006471-Chloro ethyl chloroformate
Datenbank-Bezeichner
- CAS
50893-53-3- PubChem CID
- 521305
- DTXSID
DTXSID70965132- UNII
- 2L3UG3R4FD
- EC Number
- 256-834-2
- Nikkaji
- J195.876C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 73,3
Experimentelle und physikochemische Eigenschaften
Chemical ClassesToxic Gases & Vapors -> Acid Halides
Vapor Pressure18.0 [mmHg]
Physical DescriptionColorless liquid with a pungent odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -65 °C · -65°C
- Siedepunkt
- 118 · 118-119 °C (lit.)
- Dichte
- 1.325 g/mL · 1.325 g/mL at 25 °C (lit.)
- Dampfdruck
- 3.25 psi · 3.25 psi ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.422(lit.)
- Flammpunkt
- 105 °F · 105 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Miscible with most organic solvents.
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Carbonochloridic acid, 1-chloroethyl ester
REACH registered substance: 1-chloroethyl chloroformate (EC: 256-834-2)
1-Chloroethyl chloroformate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryReacts with water; Causes burns and lachrymation; Harmful by ingestion; Toxic by inhalation; [Alfa Aesar MSDS] See CHLOROFORMATES.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheit und Schutzausrüstung
Exposure Control and Personal 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].
Chemie und Industrie
Anwendungen
Verwenden1-Chloroethyl chloroformate was used:for N-demethylation reaction during determination of multiple drugs of abuse in biological fluids using capillary electrophoresis with native fluorescence and laser-induced fluorescence detectionas catalyst in chemoselective desilylation of silyl-protected alcoholsas reagent in N-demethylation of tertiary amines to produce drug metabolite reference material for forensic toxicological applicationsas reagent to cleave benzhydryl groups from amines
Darstellung
synthetische1-Chloroethyl chloroformate is obtained by stirring phosgene and acetaldehyde in the presence of benzyltributylammonium chloride, followed by distillation (96% yield).
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