6-Bromo-4-chromanone - CAS 49660-57-3

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

Catalog:	BB026774
Product Name:	6-Bromo-4-chromanone
CAS:	49660-57-3
Synonyms:	6-bromo-2,3-dihydrochromen-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-2,3-dihydrochromen-4-one
Description:	6-Bromo-4-chromanone (CAS# 49660-57-3) is a useful research chemical.
Molecular Weight:	227.05
Molecular Formula:	C9H7BrO2
Canonical SMILES:	C1COC2=C(C1=O)C=C(C=C2)Br
InChI:	InChI=1S/C9H7BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChI Key:	PFLPVOXSUCCZDH-UHFFFAOYSA-N
Boiling Point:	336.6 °C at 760 mmHg
Purity:	95 %
Density:	1.621 g/cm³
MDL:	MFCD00546803
LogP:	2.41430

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Pyrans

[448-61-3]C23H17F4OB
2,4,6-Triphenylpyrylium Tetrafluoroborate
[857177-01-6]C9H12O5
Ethyl 2-oxo-2-(4-oxotetrahydropyran-3-yl)acetate
[55610-40-7]C9H13NO4
N-(Tetrahydro-2H-pyran-2-yloxy)succinimide
[1803580-68-8]C9H20ClNO
3-Amino-2-isobutyltetrahydropyran Hydrochloride
[504-31-4]C5H4O2
2H-Pyran-2-one
[62992-46-5]C10H16O2
2-(4-Pentynyloxy)tetrahydro-2H-pyran

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021155316-A1	Compounds and uses thereof	20200129
WO-2021155320-A1	Compounds and uses thereof	20200129
KR-20210059634-A	Novel compounds having inhibitory activity against glucosylceramide synthase or pharmaceutically acceptable salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same	20191115
WO-2021096241-A1	Novel compounds having inhibitory activity against glucosylceramide synthase or pharmaceutically acceptable salt thereof, processes for preparing the same, and pharmaceutical compositions comprising the same	20191115
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.96294
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.96294
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1