ChemicalBook--->CAS DataBase List--->515-84-4

515-84-4

515-84-4 Structure

515-84-4 Structure
IdentificationMore
[Name]

Ethyl trichloroacetate
[CAS]

515-84-4
[Synonyms]

ETHYL TRICHLOROACETATE
RARECHEM AL BI 1451
TRICHLOROACETATE ETHYL ESTER
TRICHLOROACETIC ACID ETHYL ESTER
Acetic acid, 2,2,2-trichloroethyl ester
Acetic acid, ester with trichloroethanol
ethanoicacid,trichloro-,ethylester
ethyltrichloracetate
trichloro-aceticaciethylester
Trichloroethyl acetate
ETHYL TRICHLOROACETATE 98% (GC)
ETHYL TRICHLOROACETATE PESTANAL, 250 MG
Ethyl trichloroacetate, stabilized, 97%
Acetic acid, trichloro-, ethyl ester
Ethyltrichloracetat
ETHYL TRICHLOROACETATE , STABILIZED WITH EPOXY RESIN
ETHYL TRICHLOROACETATE, STABILSED WITH EPOXY RESIN
Ethyl trichloroacetate, 97%, stab. with epoxy resin
Ethyl 2,2,2-trichloroacetate
Ethyl trichloroacetate, 97%, stabilized
[EINECS(EC#)]

208-212-7
[Molecular Formula]

C4H5Cl3O2
[MDL Number]

MFCD00000795
[Molecular Weight]

191.44
[MOL File]

515-84-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

237 °C
[Boiling point ]

168 °C (lit.)
[density ]

1.378 g/mL at 25 °C(lit.)
[vapor pressure ]

2.34hPa at 25℃
[refractive index ]

n20/D 1.453(lit.)
[Fp ]

149 °F
[storage temp. ]

Store below +30°C.
[solubility ]

alcohol: miscible(lit.)
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Water Solubility ]

immiscible
[Merck ]

9627
[BRN ]

1761567
[Dielectric constant]

7.8(20℃)
[InChI]

1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
[InChIKey]

SJMLNDPIJZBEKY-UHFFFAOYSA-N
[SMILES]

CCOC(=O)C(Cl)(Cl)Cl
[LogP]

2.22 at 25℃
[CAS DataBase Reference]

515-84-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetic acid, trichloro-, ethyl ester(515-84-4)
[EPA Substance Registry System]

515-84-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

2810
[WGK Germany ]

1
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HS Code ]

29154000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Trichloroacetic acid-->4,4,4-Trichloroacetoacetic acid ethyl ester-->Ethanol
[Preparation Products]

2,2-Dichlorocyclopropyl phenyl sulfide-->Ethyl (phenylthio)acetate-->Ethyl 1,3-dithiane-2-carboxylate-->Diethyl chloromalonate-->2-Chlorobenzothiazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl trichloroacetate(515-84-4).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

Ethyl trichloroacetate was used in the synthesis of dichlorocarbon precursor, phenyl(trichloromethyl)methyl.
[Application]

Ethyl trichloroacetate can be used as solvent, organic synthesis, perfume and pharmaceutical intermediates.
[Preparation]

Ethyl trichloroacetate was synthesized by esterification of trichloroacetic acid with ethanol.
Trichloroacetic acid(TCA), anhydrous ethanol and sulfuric acid are heated together and refluxed for 6 h. After cooling, the ester layer is separated by pouring into water, neutralized with 5-10% sodium carbonate solution, washed with water and dried overnight with anhydrous calcium chloride. After filtration, distillation was carried out to obtain the finished product of ethyl trichloroacetate. Yield 75%.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 46, p. 3519, 1981 DOI: 10.1021/jo00330a028
[General Description]

Ethyl trichloroacetate undergoes atom-transfer radical addition reaction with styrene catalyzed by the Ru-pentamethylcyclopentadienyl complexes.
[Purification Methods]

Shake the ester with saturated aqueous Na2CO3 (three times), aqueous 50% CaCl2 (three times), saturated aqueous NaCl (twice), then distil over CaCl2 and redistil it under reduced pressure. [Beilstein 2 IV 514.]
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl trichloroacetate(515-84-4)MS
Ethyl trichloroacetate(515-84-4)1HNMR
Ethyl trichloroacetate(515-84-4)13CNMR
Ethyl trichloroacetate(515-84-4)IR1
Ethyl trichloroacetate(515-84-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl trichloroacetate, stabilized, 97%(515-84-4)
[Alfa Aesar]

Ethyl trichloroacetate, 97%, stab. with epoxy resin(515-84-4)
[Sigma Aldrich]

515-84-4(sigmaaldrich)
[TCI AMERICA]

Ethyl Trichloroacetate,>97.0%(GC)(515-84-4)
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