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4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene

4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene - CAS 105529-58-6

Catalog:	BB001662
Product Name:	4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
CAS:	105529-58-6
Synonyms:	4-bromo-2-fluoro-1-(trifluoromethoxy)benzene; 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2-fluoro-1-(trifluoromethoxy)benzene
Description:	4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene (CAS# 105529-58-6) is a useful research chemical.
Molecular Weight:	259.00
Molecular Formula:	C7H3BrF4O
Canonical SMILES:	C1=CC(=C(C=C1Br)F)OC(F)(F)F
InChI:	InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
InChI Key:	SBSFDYRKNUCGBZ-UHFFFAOYSA-N
Boiling Point:	78 °C (48 torr)
Density:	1.724 g/cm³
Appearance:	Clear colorless liquid
MDL:	MFCD01861132
LogP:	3.48680

Publication Number	Title	Priority Date
US-2021078999-A1	Plasma kallikrein inhibitors and uses thereof	20190918
WO-2021055621-A1	Plasma kallikrein inhibitors and uses thereof	20190918
WO-2020146612-A1	Esters and carbamates as modulators of sodium channels	20190110
WO-2020146682-A1	Carboxamides as modulators of sodium channels	20190110
CN-110760313-A	Liquid crystal compound, liquid crystal composition, liquid crystal display element and liquid crystal display	20180726

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.93034
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.93034
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9