1-Chloroethyl chloroformate (HCID 521305)

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 chloroformateEINECS 256-834-2QOPVNWQGBQYBBP-UHFFFAOYSA-RefChem: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 ester1-CHLOROETHYLCHLOROFORMATEMFCD00000647ACE-Cl1-chlorocarbonyloxy-1-chloroethanea-chloroethyl chloroformate1-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 Å²
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
BRN: 1747601 · 1747601
Stabilität: Hygroscopic, Moisture Sensitive
InChI: 1S/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3
InChIKey: QOPVNWQGBQYBBP-UHFFFAOYSA-N
SMILES: CC(Cl)OC(Cl)=O
CAS Datenbank: 50893 · 50893-53-3(CAS DataBase Reference)
NIST chemische Informationen: «ALPHA»-chloroethyl chloroformate(50893-53-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

Chemical: Carbonochloridic acid, 1-chloroethyl ester

Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25301

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 · 1 Eintrag

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].

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 10-19-21
wgk: 3
tsca: No
ridadr: UN 2742 6.1/PG 2
hs_code: 29159000
risk_code: 10-22-23-34
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

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).