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 ℃ 20 mmHg
Melting Point:	55-56 ℃
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

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[452-76-6]
2,4-Difluorotoluene
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[351-28-0]
3'-Fluoroacetanilide
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

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