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Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate

Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate - CAS 55942-41-1

Name: Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029222
Product Name:	Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate
CAS:	55942-41-1
Synonyms:	ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
Description:	Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate (CAS# 55942-41-1) is a useful research chemical.
Molecular Weight:	208.14
Molecular Formula:	C7H7F3N2O2
Canonical SMILES:	CCOC(=O)C1=C(NC=N1)C(F)(F)F
InChI:	InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-5(7(8,9)10)12-3-11-4/h3H,2H2,1H3,(H,11,12)
InChI Key:	GKUCPVKNHSQTEO-UHFFFAOYSA-N
MDL:	MFCD12025856
LogP:	1.60520

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Related Functional Groups

Fluorinated Building Blocks

[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-109761906-A	A kind of substituted imidazole formate ester derivative and application thereof	20190302
KR-102082695-B1	Imidazolium-based ionic liquid compound, manufacturing method for the same, and method for separating carbon dioxide using the same	20180629
KR-20200002378-A	Imidazolium-based ionic liquid compound, manufacturing method for the same, and method for separating carbon dioxide using the same	20180629
CN-109824656-A	Polysubstituted imidazole formic acid ester derivative and application thereof	20180130
WO-2019149228-A1	Substituted imidazole formate derivative and use thereof	20180130

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.04596196
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.04596196
Rotatable Bond Count:	3
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5