4,6-Difluoro-1-indanone - CAS 162548-73-4

Catalog:	BB011883
Product Name:	4,6-Difluoro-1-indanone
CAS:	162548-73-4
Synonyms:	4,6-difluoro-2,3-dihydroinden-1-one; 4,6-difluoro-2,3-dihydroinden-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,6-difluoro-2,3-dihydroinden-1-one
Description:	4,6-Difluoro-1-indanone (CAS# 162548-73-4) is a useful research chemical.
Molecular Weight:	168.14
Molecular Formula:	C9H6F2O
Canonical SMILES:	C1CC(=O)C2=CC(=CC(=C21)F)F
InChI:	InChI=1S/C9H6F2O/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4H,1-2H2
InChI Key:	HBVVKRYLYPANAE-UHFFFAOYSA-N
Boiling Point:	237.291 °C at 760 mmHg
Density:	1.362 g/cm³
Appearance:	White or off-white crystalline powder
MDL:	MFCD04972815
LogP:	2.09370

Publication Number	Title	Priority Date
WO-2019206800-A1	Spirocyclic compounds as modulators of indoleamine 2,3-dioxygenase	20180424
BR-112019004586-A2	pyrazolopyridine derivatives as hpk1 modulators and their uses for cancer treatment	20160909
CA-3036358-A1	Pyrazolopyridine derivatives as hpk1 modulators and uses thereof for the treatment of cancer	20160909
EP-3510032-A1	Pyrazolopyridine derivatives as hpk1 modulators and uses thereof for the treatment of cancer	20160909
JP-2019530670-A	Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer	20160909

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.03867113
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.03867113
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9