3-Bromo-5-fluoroanisole - CAS 29578-39-0

Catalog:	BB020242
Product Name:	3-Bromo-5-fluoroanisole
CAS:	29578-39-0
Synonyms:	1-bromo-3-fluoro-5-methoxybenzene; 1-bromo-3-fluoro-5-methoxybenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-3-fluoro-5-methoxybenzene
Description:	3-Bromo-5-fluoroanisole (CAS# 29578-39-0) is a useful research chemical.
Molecular Weight:	205.02
Molecular Formula:	C7H6BrFO
Canonical SMILES:	COC1=CC(=CC(=C1)Br)F
InChI:	InChI=1S/C7H6BrFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChI Key:	XVNQVSGOIUYOPB-UHFFFAOYSA-N
Boiling Point:	186.564 °C at 760 mmHg
Density:	1.532 g/cm³
MDL:	MFCD01861129
LogP:	2.59680

Publication Number	Title	Priority Date
WO-2021204258-A1	Azabicyclo compound as hepatitis b surface antigen inhibitor	20200409
CN-113354585-A	Synthesis of novel EP4 antagonists and their use in cancer and inflammation	20200304
WO-2021175283-A1	Synthesis of novel ep4 antagonist and use in cancers and inflammations	20200304
CN-113258018-A	Organic electroluminescent device and nitrogen-containing compound for organic electroluminescent device	20200213
WO-2021093795-A1	Rock inhibitor, preparation method therefor and use thereof	20191115

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Related Functional Groups

Halides

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[1448610-48-7]
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1,2,3,5-Tetrafluorobenzene

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GHS Hazard Statement:	H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, 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