4,4,4-Trifluorocrotonic acid - CAS 71027-02-6

Catalog:	BB034291
Product Name:	4,4,4-Trifluorocrotonic acid
CAS:	71027-02-6
Synonyms:	(E)-4,4,4-trifluorobut-2-enoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(E)-4,4,4-trifluorobut-2-enoic acid
Description:	4,4,4-Trifluorocrotonic acid (CAS# 71027-02-6) is a useful research chemical.
Molecular Weight:	140.06
Molecular Formula:	C4H3F3O2
Canonical SMILES:	C(=CC(F)(F)F)C(=O)O
InChI:	InChI=1S/C4H3F3O2/c5-4(6,7)2-1-3(8)9/h1-2H,(H,8,9)/b2-1+
InChI Key:	QZBAYURFHCTXOJ-OWOJBTEDSA-N
Boiling Point:	68-69 °C 20 mmHg
Melting Point:	55-56 °C
Purity:	95 %
Density:	1.411 g/cm³
MDL:	MFCD02181180
LogP:	1.18950

Publication Number	Title	Priority Date
WO-2021110142-A1	Substituted imidazolecarboxamide as bruton's tyrosine kinase inhibitors	20191204
JP-2021004226-A	Method for producing fluorine-containing unsaturated carboxylic acid	20190627
CN-111909133-A	Substituted 1-amino-1H-imidazole-5-carboxamides as brunauer tyrosine kinase inhibitors	20190510
WO-2020228637-A1	Substituted 1-amino-1h-imidazole-5-carboxamide as bruton's tyrosine kinase inhibitors	20190510
JP-6714785-B2	Process for producing fluorine-containing pyrazole derivative and intermediate thereof	20180531

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
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[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Fluorinated Building Blocks

[1006473-17-1]
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[150517-77-4]
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[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[351-28-0]
3'-Fluoroacetanilide
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[1192570-20-9]
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine

GHS Hazard Statement:	H319 (90.48%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P261, P264, P271, P280, P304+P340, P305+P351+P338, P312, P337+P313, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	140.00851382
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.00851382
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1