Vinyl chloroformate
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Basic information
- CAS
5130-24-5- Standard SMILES
C=COC(=O)Cl- InChIKey
PQLFROTZSIMBKR-UHFFFAOYSA-N- Molecular formula
- C3H3ClO2
- Average molar mass
- 106.51 g/mol
- Monoisotopic mass
- 105.98215702
Names & identifiers
- Preferred name
- Vinyl chloroformate
- IUPAC
- ethenyl carbonochloridate
- English name
- Vinyl chloroformate
- Molecular formula
- C3H3ClO2
- Molecular weight
- 106.51
Names & synonyms
Vinyl chloroformate5130-24-5ethenyl carbonochloridate9DJ5DDM7G9Carbonochloridic acid, ethenyl esterEINECS 225-874-2chloroformic acid vinyl esterDTXSID30199299RefChem:901916DTXCID10121790225-874-2vinyl carbonochloridate
Show more names
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
Database identifiers
- CAS
5130-24-5- PubChem CID
- 78808
- DTXSID
DTXSID30199299- UNII
- 9DJ5DDM7G9
- EC Number
- 225-874-2
- Nikkaji
- J203.322D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 69.2
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Acid Halides
Vapor Pressure45.5 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 68 · 68-69 °C735 mm Hg(lit.)
- Density
- 1.166 g/mL · 1.166 g/mL at 20 °C(lit.)
- vapor pressure
- 0.88 psi · 0.88 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.41(lit.)
- Flash point
- 24 °F · 24 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless
- BRN
- 1741679 · 1741679
- FDA UNII
- 9 DJ5DDM7G9 · 9DJ5DDM7G9
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
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%)
Safety & protection
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].
Chemistry & industry
Applications
UsesVinyl 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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
114 records
Compound notes
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