2-Fluoro-6-iodobenzonitrile - CAS 79544-29-9

Catalog:	BB036374
Product Name:	2-Fluoro-6-iodobenzonitrile
CAS:	79544-29-9
Synonyms:	2-fluoro-6-iodobenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-6-iodobenzonitrile
Description:	2-Fluoro-6-iodobenzonitrile (CAS# 79544-29-9) is an aryl fluorinated building block used in the chemical synthesis of various compounds.
Molecular Weight:	247.01
Molecular Formula:	C7H3FIN
Canonical SMILES:	C1=CC(=C(C(=C1)I)C#N)F
InChI:	InChI=1S/C7H3FIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChI Key:	FAACTMVXBNSPJA-UHFFFAOYSA-N
Boiling Point:	281 °C
Melting Point:	49-53 °C
Purity:	> 98.0 % (GC)
Density:	1.69 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00015478
LogP:	2.30198

Publication Number	Title	Priority Date
CN-111978253-A	(E) -N- (4-iodine-1H-indazole-3-yl) -1-phenyl methylamine compound and preparation method thereof	20200826
WO-2021106231-A1	A compound having inhibitory activity against kras g12d mutation	20191129
WO-2021107160-A1	A compound having inhibitory activity against kras g12d mutation	20191129
US-2020407344-A1	Compounds for the treatment of braf-associated diseases and disorders	20190628
WO-2020261156-A1	Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders	20190628

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1597-32-6]
2-Amino-6-fluoropyridine
[1975118-13-8]
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[618-40-6]
1-Methyl-1-phenylhydrazine
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine
[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
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1489-53-8]
1,2,3-Trifluorobenzene

GHS Hazard Statement:	H302 (97.73%): 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, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.92942
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.92942
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4