Vinyl chloroacetate
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Basic information
- CAS
2549-51-1- Standard SMILES
C=COC(=O)CCl- InChIKey
XJELOQYISYPGDX-UHFFFAOYSA-N- Molecular formula
- C4H5ClO2
- Average molar mass
- 120.53 g/mol
- Monoisotopic mass
- 119.99780708
Overview
Vinyl chloroacetate appears as a colorless to light yellow colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation or skin absorption.
Names & identifiers
- Preferred name
- Vinyl chloroacetate
- IUPAC
- ethenyl 2-chloroacetate
- English name
- Vinyl chloroacetate
- Molecular formula
- C4H5ClO2
- Molecular weight
- 120.53
Names & synonyms
Vinyl chloroacetateethenyl 2-chloroacetateAcetic acid, 2-chloro-, ethenyl esterEINECS 219-834-39V67DD44DSDTXSID0062509XJELOQYISYPGDX-UHFFFAOYSA-UN 2589vinyl monochloroacetateRefChem:194315DTXCID1037309219-834-3
Show more names
vinylchloracetateVinylchloroacetate,99%Chloroacetic acid vinylethenyl 2-chloroethanoateVINYL CHLOROACETATE, STAB.chloro-aceticaciethenylester2-chloroacetic acid vinyl ester
InChI=1/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2XJELOQYISYPGDX-UHFFFAOYSA-N2549-51-1Acetic acid, chloro-, ethenyl esterChloroacetic Acid Vinyl EsterAcetic acid, chloro-, vinyl esterVinyl Chloroacetate (stabilized with MEHQ)MFCD00045275
Database identifiers
- CAS
2549-51-1- PubChem CID
- 82156
- DTXSID
DTXSID0062509- UNII
- 9V67DD44DS
- EC Number
- 219-834-3
- Nikkaji
- J26.252H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 79.8
Experimental & physicochemical properties
Physical Description
Vinyl chloroacetate appears as a colorless to light yellow colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation or skin absorption.
Liquid
Physicochemical properties
- Boiling point
- 37 · 37-38°C 16mm
- Density
- 1.192 g/mL · 1.192 g/mL at 20 °C
- vapor pressure
- 6.973 hPa · 6.973hPa at 20℃
- refractive index
- 20 · n20/D 1.444
- Flash point
- 51 °C · 51°C
- storage temp.
- 2 · 2-8°C
- Water Solubility
- Difficult to mix in water.
- BRN
- 1741679 · 1741679
- InChI
- 1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2
- InChIKey
- XJELOQYISYPGDX-UHFFFAOYSA-N
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Acetic acid, chloro-, ethenyl ester
Acetic acid, 2-chloro-, ethenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-chloro-, ethenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 25-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24817
DOT LabelPoison Flammable Liquid
Fire Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
DOT ID and Guide2589 155
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 31,040 lb
Industry UsesMonomers
General Manufacturing Information
Rubber Product Manufacturing
Acetic acid, 2-chloro-, ethenyl ester: ACTIVE
Applications
UsesVinyl chloroacetate was used to study the effect of the electron-withdrawing groups on the ligand in a series of bis(acetylacetonate)cobalt(II) derivatives.
General DescriptionVinyl chloroacetate appears as a colorless to light yellow colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation or skin absorption.
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Related reactions
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Compound notes
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