3,5-Difluoro-4-formylbenzonitrile - CAS 467442-15-5

Catalog:	BB026175
Product Name:	3,5-Difluoro-4-formylbenzonitrile
CAS:	467442-15-5
Synonyms:	3,5-difluoro-4-formylbenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,5-difluoro-4-formylbenzonitrile
Description:	3,5-Difluoro-4-formylbenzonitrile (CAS# 467442-15-5) is a useful research chemical.
Molecular Weight:	167.11
Molecular Formula:	C8H3F2NO
Canonical SMILES:	C1=C(C=C(C(=C1F)C=O)F)C#N
InChI:	InChI=1S/C8H3F2NO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,4H
InChI Key:	GOBXWYWTZCKDBF-UHFFFAOYSA-N
Boiling Point:	261.91 °C at 760 mmHg
Melting Point:	97-101 °C
Purity:	98 %
Density:	1.357 g/cm³
Appearance:	White to yellow solid
MDL:	MFCD08457661
LogP:	1.64898

Publication Number	Title	Priority Date
WO-2021021893-A1	Compounds for use in treating neurological disorders	20190729
TW-202035373-A	Nitrile compound, the manufacturing method and the use of the same as light emitting materials, and organic light emitting diodes	20190326
CN-111377917-A	Heterocyclic compound, intermediate, preparation method and application thereof	20181229
WO-2020135771-A1	Heterocyclic compound intermediate, preparation method therefor and application thereof	20181229
CN-113272301-A	Heterocyclic compound, intermediate, preparation method and application thereof	20181229

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[351-28-0]
3'-Fluoroacetanilide

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[451-46-7]
Ethyl 4-fluorobenzoate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.01827004
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.01827004
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3