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Ethyl 4,4,4-Trifluorobut-2-Enoate
[CAS# 406-10-0]

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Identification
Name Ethyl 4,4,4-Trifluorobut-2-Enoate
Synonyms Ethyl (E)-4,4,4-Trifluorobut-2-Enoate; 4,4,4-Trifluorobut-2-Enoic Acid Ethyl Ester; (E)-4,4,4-Trifluorobut-2-Enoic Acid Ethyl Ester
Molecular Structure CAS#: 406-10-0, Ethyl 4,4,4-Trifluorobut-2-Enoate
Molecular Formula C6H7F3O2
Molecular Weight 168.12
CAS Registry Number 406-10-0
SMILES C(OC(=O)/C=C/C(F)(F)F)C
InChI 1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+
InChIKey ZKRJCMKLCDWROR-ONEGZZNKSA-N
Properties
Density 1.125 (Expl.)
1.2±0.1g/cm3 (Cal.)
Boiling point 114-115°C (Expl.)
114.499°C at 760 mmHg (Cal.)
Flash point 25.556°C (Cal.)
25°C (Expl.)
Refractive index 1.3601 (Expl.)
Safety Data
Safety Code S23;S26;S37  Details
Risk Code R10;R36/37/38  Details
Hazard Symbol symbol  X  Details
Transport Information UN3272
Safety Description IRRITANT
DANGER: FLAMMABLE, irritates skin, eyes, lungs
SDS Available
References
(1) Qing-Hua LiQ.-H. Li and M.-C. Tong made equal contribution to this work., Min-Chao Tong, Jun Li, Hai-Yan Tao and Chun-Jiang Wang. Asymmetric construction of trifluoromethylated pyrrolidines via Cu(i)-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with 4,4,4-trifluorocrotonates, Chem. Commun., 2011, 47, 11110.
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