2-Bromo-5-fluoroanisole - CAS 450-88-4

Catalog:	BB025759
Product Name:	2-Bromo-5-fluoroanisole
CAS:	450-88-4
Synonyms:	1-bromo-4-fluoro-2-methoxybenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-4-fluoro-2-methoxybenzene
Description:	2-Bromo-5-fluoroanisole (CAS# 450-88-4) is a useful research chemical.
Molecular Weight:	205.02
Molecular Formula:	C7H6BrFO
Canonical SMILES:	COC1=C(C=CC(=C1)F)Br
InChI:	InChI=1S/C7H6BrFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
InChI Key:	KGYXKRGMSUHYCY-UHFFFAOYSA-N
Boiling Point:	143-145 °C
Purity:	98 %
Density:	1.5983 g/cm³
Appearance:	Colorless to yellow liquid
Storage:	Room temperature.
MDL:	MFCD04973752
LogP:	2.59680

Publication Number	Title	Priority Date
WO-2021102896-A1	Organic compounds	20191129
WO-2021105261-A1	Trpm8 modulators	20191129
TW-202043200-A	2-oxo-1,2-dihydropyridin derivative, a preparation method thereof and a medical use thereof	20190125
WO-2020151728-A1	2-oxo-1,2-dihydropyridin derivative, preparation method therefor and medical uses thereof	20190125
CN-112996774-A	2-oxo-1, 2-dihydropyridine derivatives, preparation method and application thereof in medicines	20190125

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Related Functional Groups

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1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
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Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
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[1106917-71-8]
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[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[2367-82-0]
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Other Pyrimidines

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1,2,3-Trifluorobenzene

Oxygen Compounds

[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

GHS Hazard Statement:	H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.95861
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.95861
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7