Vinylchlorformiat

Vinyl chloroformate

HCID 78808CAS 5130-24-5

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Grundinformationen

Standard-SMILES: C=COC(=O)Cl
InChIKey: PQLFROTZSIMBKR-UHFFFAOYSA-N
Summenformel: C3H3ClO2
Durchschnittliche Molmasse: 106,51 g/mol
Monoisotopische Masse: 105,98215702

Namen und Bezeichner

Bevorzugter Name: Vinyl chloroformate
IUPAC: ethenyl carbonochloridate
Lokaler Name: Vinylchlorformiat
Englischer Name: Vinyl chloroformate
Summenformel: C3H3ClO2
Molmasse: 106.51

Namen und Synonyme

Vinyl chloroformate5130-24-5ethenyl carbonochloridate9DJ5DDM7G9Carbonochloridic acid, ethenyl esterEINECS 225-874-2chloroformic acid vinyl esterDTXSID30199299RefChem:901916DTXCID10121790225-874-2vinyl carbonochloridate

Weitere Namen anzeigen

Vinyl chlorocarbonateVinylchloroformate99%Vinyl chloroformate 98%Vinyloxycarbonyl chlorideVINYL CHLOROFORMATE, STAB.Ethenyl carbonochloridoateChloroformic acid ethenyl esterVinyl Chloroformate DISCONTINUED

vinylchloroformateethenyl chloroformateUNII-9DJ5DDM7G9Vinyl chloroformate, 94%Vinyl chloroformate, 99%SCHEMBL197073STR07467MFCD00000641

Datenbank-Bezeichner

CAS: 5130-24-5
PubChem CID: 78808
DTXSID: DTXSID30199299
UNII: 9DJ5DDM7G9
EC Number: 225-874-2
Nikkaji: J203.322D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 69,2

Experimentelle und physikochemische Eigenschaften

Chemical ClassesToxic Gases & Vapors -> Acid Halides

Vapor Pressure45.5 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Siedepunkt: 68 · 68-69 °C735 mm Hg(lit.)
Dichte: 1.166 g/mL · 1.166 g/mL at 20 °C(lit.)
Dampfdruck: 0.88 psi · 0.88 psi ( 20 °C)
Brechungsindex: 20 · n20/D 1.41(lit.)
Flammpunkt: 24 °F · 24 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless
BRN: 1741679 · 1741679

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: Carbonochloridic acid, ethenyl ester

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Allyl chloroformate.

Hazard Classes and CategoriesFlam. Liq. 2 (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: 10-21-19
wgk: 3
ridadr: UN 3390 6.1/PG 1
hs_code: 29159000
risk_code: 23/24/25-34-11
hazard_code: F,T
safety_code: 16-26-36-45-36/37
hazard_class: 6.1(a)
packing_group: II

Chemie und Industrie

Anwendungen

VerwendenVinyl Chloroformate was used to prepare analogues of the Nicotinic Acetylcholine Receptor Agonist (±)-UB-165. It was also used to synthesize possible antitumor agents such as paclitaxel-2''-carbonates and N-carbamyl triazenes.