4-Fluoro-3-(trifluoromethyl)benzaldehyde - CAS 67515-60-0

Name: 4-Fluoro-3-(trifluoromethyl)benzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033309
Product Name:	4-Fluoro-3-(trifluoromethyl)benzaldehyde
CAS:	67515-60-0
Synonyms:	4-fluoro-3-(trifluoromethyl)benzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-3-(trifluoromethyl)benzaldehyde
Description:	4-Fluoro-3-(trifluoromethyl)benzaldehyde (CAS# 67515-60-0) is a useful research chemical.
Molecular Weight:	192.11
Molecular Formula:	C8H4F4O
Canonical SMILES:	C1=CC(=C(C=C1C=O)C(F)(F)F)F
InChI:	InChI=1S/C8H4F4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H
InChI Key:	BIUDHHGROGJSHN-UHFFFAOYSA-N
Boiling Point:	178 °C
Melting Point:	114.0-116.0 °C
Purity:	96 %
Density:	1.408 g/cm³
MDL:	MFCD00061314
LogP:	2.65700

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate

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-2021203016-A2	Protein-protein interaction stabilizers	20200403
US-2021317123-A1	Cbp/catenin signaling pathway inhibitors and uses thereof	20200312
WO-2021147971-A1	Compound for treating alzheimer's disease	20200121
US-2021047294-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
WO-2021030537-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.01982740
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.01982740
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4