6-Fluoro-4-chromanone - CAS 66892-34-0

Name: 6-Fluoro-4-chromanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	6-fluoro-2,3-dihydrochromen-4-one
Description:	6-Fluoro-4-chromanone was utilized in hydantoin synthesis of irreversible aldose reductase inhibitors.
Molecular Weight:	166.15
Molecular Formula:	C9H7FO2
Canonical SMILES:	C1COC2=C(C1=O)C=C(C=C2)F
InChI:	InChI=1S/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChI Key:	SWBBIJZMIGAZHW-UHFFFAOYSA-N
Boiling Point:	281.9 °C at 760 mmHg
Melting Point:	114-116 °C
Purity:	99+ % (HPLC)
Density:	1.297 g/cm³
Appearance:	Pink-rose crystals
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00038654
LogP:	1.79090

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

Publication Number	Title	Priority Date
CN-110791483-A	Short-chain reductase and preparation method and application thereof	20191205
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
US-10696663-B2	Chromene derivatives as inhibitors of TCR-NCK interaction	20180227
US-2019263792-A1	Chromene derivatives as inhibitors of tcr-nck interaction	20180227
WO-2019169001-A1	Chromene derivatives as inhibitors of tcr-nck interaction	20180227

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.04300762
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.04300762
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5