CAS 433-28-3|ethenyl 2,2,2-trifluoroacetate|ethenyl 2,2,2-trifluoroacetate|Vinyl trifluoroacetate 98%|Vinyl trifluoroacetate|三氟乙酸乙烯酯|Trifluoroacetic acid vinyl ester

Molecular Formula

C₄H₃F₃O₂

Molecular Mass

140.0606296

Exact Mass

140.008514

InChI

InChI=1S/C4H3F3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2

InChIKey

ZBGRMWIREQJHPK-UHFFFAOYSA-N

Canonic Smiles

C=COC(=O)C(F)(F)F

Isomeric Smiles

O(C(=O)C(F)(F)F)C=C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.5595514

LogD (pH = 7.4)

1.5595514

Log P

1.5595514

Molar Refractivity

22.1152

Polarizability

8.475364

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

79011

IUPAC name

ethenyl 2,2,2-trifluoroacetate

IUPAC Traditional name

ethenyl 2,2,2-trifluoroacetate

Synonyms

Vinyl trifluoroacetate 98%Vinyl trifluoroacetate三氟乙酸乙烯酯Trifluoroacetic acid vinyl ester

MDL Number

MFCD00003561

Beilstein Number

1758566

PubChem SID

16208616824859511

Physical Property

Storage Warning

Flammable

European Hazard Symbols

Flammable (F)

Corrosive (C)

Harmful (X)

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)

53-16-26-27-36/37/39-45

16-23-26-33-36/37/39-45

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

2924

UN2924

UN 2924 3/PG 2

P210-P280-P305+P351+P338-P310

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

46-20/21/22-34

11-34-37-40

H225-H302-H312-H314-H332

H225-H314-H318-H351-H335

Product Information

Purity

98%

99%, stab. with ca 10ppm 3,5-di-tert-butylcatechol

Contains

10 ppm tert-butylcatechol as inhibitor

Linear Formula

CF3CO2CH=CH2

No Data Available

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No Data Available

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Sigma Aldrich

325449

Packaging
5 g in ampule

No Data Available

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Academic Data

PubChem

79011

IUPAC name

ethenyl 2,2,2-trifluoroacetate

IUPAC Traditional name

ethenyl 2,2,2-trifluoroacetate

Synonyms

Vinyl trifluoroacetate 98%Vinyl trifluoroacetate三氟乙酸乙烯酯Trifluoroacetic acid vinyl ester

MDL Number

Beilstein Number

PubChem SID

325449

Packaging
5 g in ampule

No Data Available

Click here to submit data

Physical Property

Safety Information

Product Information

Purity

98%

99%, stab. with ca 10ppm 3,5-di-tert-butylcatechol

Contains

10 ppm tert-butylcatechol as inhibitor

Linear Formula

CF3CO2CH=CH2

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Molecule

ID:99922