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trans-3,5-Bis(trifluoromethyl)cinnamic acid

trans-3,5-Bis(trifluoromethyl)cinnamic acid - CAS 155814-20-3

Name: trans-3,5-Bis(trifluoromethyl)cinnamic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011165
Product Name:	trans-3,5-Bis(trifluoromethyl)cinnamic acid
CAS:	155814-20-3
Synonyms:	(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoic acid

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Computed Properties

IUPAC Name:	(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoic acid
Description:	trans-3,5-Bis(trifluoromethyl)cinnamic acid (CAS# 155814-20-3) is a useful research chemical.
Molecular Weight:	284.15
Molecular Formula:	C11H6F6O2
Canonical SMILES:	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C=CC(=O)O
InChI:	InChI=1S/C11H6F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h1-5H,(H,18,19)/b2-1+
InChI Key:	IZKCKOPHMWHBHR-OWOJBTEDSA-N
Boiling Point:	273.9 °C at 760 mmHg
Density:	1.479 g/cm³
MDL:	MFCD00799487
LogP:	3.82200

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020252075-A1	Ligand-exchangeable janus nanoparticles and methods of making the same	20190614
KR-20200080615-A	Plating Composition and Method for Forming The Solder Bump	20181227
US-10544168-B2	Ligand-exchangeable nanoparticles and methods of making the same	20160615
US-2017362255-A1	Ligand-exchangeable nanoparticles and methods of making the same	20160615
EP-3423429-A1	Modulators of lipoxygenase and cyclooxygenase enzyme activity	20160303

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	284.02719840
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	284.02719840
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6