4-Fluoro-2-(trifluoromethyl)phenylacetonitrile - CAS 80141-94-2

Catalog:	BB036469
Product Name:	4-Fluoro-2-(trifluoromethyl)phenylacetonitrile
CAS:	80141-94-2
Synonyms:	2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile
Description:	4-Fluoro-2-(trifluoromethyl)phenylacetonitrile (CAS# 80141-94-2) is a useful research chemical.
Molecular Weight:	203.14
Molecular Formula:	C9H5F4N
Canonical SMILES:	C1=CC(=C(C=C1F)C(F)(F)F)CC#N
InChI:	InChI=1S/C9H5F4N/c10-7-2-1-6(3-4-14)8(5-7)9(11,12)13/h1-2,5H,3H2
InChI Key:	YTIAVOXEDRIPNR-UHFFFAOYSA-N
Boiling Point:	222-223 °C
Purity:	95 %
Density:	1.364 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00061182
LogP:	2.91058

Publication Number	Title	Priority Date
CN-113087704-A	Preparation method and application of protein degradation agent compound	20191223
WO-2021129653-A1	Protein degradation agent compound preparation method and application	20191223
CN-112390852-A	Compound as protein degradation agent and preparation method and application thereof	20190814
JP-2012051806-A	Imidazolyl pyrazine derivatives	20090226
TW-201031662-A	Imidazolylpyrazine derivatives	20090226

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
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1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[451-46-7]
Ethyl 4-fluorobenzoate
[1489-53-8]
1,2,3-Trifluorobenzene
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
Precautionary Statement:	P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501
Signal Word:	Danger

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.03581181
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.03581181
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6