2-Bromo-3-fluoroanisole - CAS 446-59-3

Catalog:	BB025685
Product Name:	2-Bromo-3-fluoroanisole
CAS:	446-59-3
Synonyms:	2-bromo-1-fluoro-3-methoxybenzene; 2-bromo-1-fluoro-3-methoxybenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-fluoro-3-methoxybenzene
Description:	2-Bromo-3-fluoroanisole (CAS# 446-59-3) 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/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3
InChI Key:	RNUBPKHSQXYYCV-UHFFFAOYSA-N
Boiling Point:	189.2 °C at 760 mmHg
Density:	1.176 g/cm³
MDL:	MFCD03788540
LogP:	2.59680

Publication Number	Title	Priority Date
WO-2021138315-A1	Compounds and compositions for treating cns disorders	20200103
CN-113061132-A	Condensed ring lactam compound, preparation method and application	20200101
WO-2021132667-A1	Organic electroluminescence element, composition, powder, electronic equipment, and novel compound	20191226
WO-2021043322-A1	Azepino pyrimidine derivatives and medical use thereof	20190906
CN-113423703-A	Nitrogen-containing heterocyclic derivative regulator, and preparation method and application thereof	20190529

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7