3-Bromo-4'-fluorodiphenyl ether - CAS 50904-38-6

Name: 3-Bromo-4'-fluorodiphenyl ether
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027254
Product Name:	3-Bromo-4'-fluorodiphenyl ether
CAS:	50904-38-6
Synonyms:	1-bromo-3-(4-fluorophenoxy)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-3-(4-fluorophenoxy)benzene
Description:	3-Bromo-4'-fluorodiphenyl ether (CAS# 50904-38-6 ) is a useful research chemical.
Molecular Weight:	267.09
Molecular Formula:	C12H8BrFO
Canonical SMILES:	C1=CC(=CC(=C1)Br)OC2=CC=C(C=C2)F
InChI:	InChI=1S/C12H8BrFO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H
InChI Key:	ADGMRCLDJLCOKF-UHFFFAOYSA-N
Boiling Point:	220 °C / 25 mmHg (lit.)
Density:	1.48 g/cm³
MDL:	MFCD00142589
LogP:	4.38050

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene

Oxygen Compounds

[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[5416-55-7]C10H20O5
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[88-60-8]C11H16O
2-tert-Butyl-5-methylphenol

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2016229830-A1	Glucosylceramide synthase inhibitors for the treatment of diseases	20130920
WO-2015042397-A1	Glucosylceramide synthase inhibitors for the treatment of diseases	20130920
AU-2014231567-A1	Pyrrolo[2,3-b]pyridine CDK9 kinase inhibitors	20130314
EP-2970278-A1	Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors	20130314
US-2016060257-A1	Pyrrolo [2,3-b] pyridine cdk9 kinase inhibitors	20130314

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.97426
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.97426
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2