4-Fluorobenzonitrile - CAS 1194-02-1

Catalog:	BB004494
Product Name:	4-Fluorobenzonitrile
CAS:	1194-02-1
Synonyms:	4-fluorobenzonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

Related CAS:	143234-87-1
IUPAC Name:	4-fluorobenzonitrile
Description:	4-Fluorobenzonitrile (CAS# 1194-02-1) is used in the synthesis of flurenones, pharmaceutical prerequisites, as well as opiod receptor antagonists.
Molecular Weight:	121.11
Molecular Formula:	C7H4FN
Canonical SMILES:	C1=CC(=CC=C1C#N)F
InChI:	InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H
InChI Key:	AEKVBBNGWBBYLL-UHFFFAOYSA-N
Boiling Point:	188 ℃ (750 torr)
Density:	1.15 g/cm³
MDL:	MFCD00001812
LogP:	1.69738

Publication Number	Title	Priority Date
CN-113429394-A	Benzimidazole blue light material and preparation method and application thereof	20210726
CN-113336781-A	Preparation method of clitorium	20210615
CN-113461660-A	2,4, 6-trisubstituted-1, 3, 5-s-triazine compound, preparation and application thereof	20210611
CN-113336780-A	Preparation method of 2-formyl-4- (4-cyanophenoxy) phenylboronic acid pinacol ester	20210525
CN-113512064-A	Preparation method of aromatic phosphine oxide compound	20210430

PMID	Publication Date	Title	Journal
22409504	20120504	Energetic study applied to the knowledge of the structural and electronic properties of monofluorobenzonitriles	The Journal of organic chemistry
22606139	20120401	Polymorph of 4-(carbazol-9-yl)benzo-nitrile	Acta crystallographica. Section E, Structure reports online
22606176	20120401	4,4'-[(5-Carb-oxy-1,3-phenyl-ene)bis-(-oxy)]dibenzoic acid	Acta crystallographica. Section E, Structure reports online
21608133	20110801	Aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole and vorozole templates	ChemMedChem
21579220	20100428	4-(2-Oxa-6-aza-spiro-[3.3]hept-6-yl)-benzo-nitrile	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Fluorinated Building Blocks

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[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
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1,2,3,5-Tetrafluorobenzene
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1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[459836-92-1]
3,6-Difluoro-2-methylbenzoic 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
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1489-53-8]
1,2,3-Trifluorobenzene

GHS Hazard Statement:	H228 (12.5%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.032777294
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	121.032777294
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1