4-Cyano-3-fluorobenzaldehyde - CAS 101048-76-4

Catalog:	BB000424
Product Name:	4-Cyano-3-fluorobenzaldehyde
CAS:	101048-76-4
Synonyms:	2-fluoro-4-formylbenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-4-formylbenzonitrile
Description:	4-Cyano-3-fluorobenzaldehyde (CAS# 101048-76-4) is a useful research chemical.
Molecular Weight:	149.12
Molecular Formula:	C8H4FNO
Canonical SMILES:	C1=CC(=C(C=C1C=O)F)C#N
InChI:	InChI=1S/C8H4FNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,5H
InChI Key:	MYUPCEIJNBAAFL-UHFFFAOYSA-N
Boiling Point:	276.4 °C at 760 mmHg
Melting Point:	80-84 °C (lit.)
Purity:	95 %
Density:	1.25 g/cm³
MDL:	MFCD06738989
LogP:	1.50988

Publication Number	Title	Priority Date
WO-2021198283-A1	Inhibitors of antigen presentation by hla-dr	20200331
WO-2021154966-A1	Compounds and compositions for use in treating skin disorders	20200129
US-2020399258-A1	Benzisoxazole Sulfonamide Derivatives	20190618
WO-2020254946-A1	Benzisoxazole sulfonamide derivatives	20190618
US-2020283452-A1	Pentacyclic heterocycles	20190305

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Fluorinated Building Blocks

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[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]
2,4-Difluorotoluene

Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine

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

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.027691913
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	149.027691913
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2