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3-Bromo-2,6-difluorotoluene

3-Bromo-2,6-difluorotoluene - CAS 221220-97-9

Catalog:	BB017399
Product Name:	3-Bromo-2,6-difluorotoluene
CAS:	221220-97-9
Synonyms:	1-bromo-2,4-difluoro-3-methylbenzene; 1-bromo-2,4-difluoro-3-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-2,4-difluoro-3-methylbenzene
Description:	3-Bromo-2,6-difluorotoluene (CAS# 221220-97-9) is a useful research chemical.
Molecular Weight:	207.02
Molecular Formula:	C7H5BrF2
Canonical SMILES:	CC1=C(C=CC(=C1F)Br)F
InChI:	InChI=1S/C7H5BrF2/c1-4-6(9)3-2-5(8)7(4)10/h2-3H,1H3
InChI Key:	AISIRIFPPGLTCY-UHFFFAOYSA-N
Boiling Point:	174.4 °C at 760 mmHg
Density:	1.588 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD03412221
LogP:	3.03570

Publication Number	Title	Priority Date
WO-2020246903-A1	Dopamine-Î²-hydroxylase inhibitors	20190605
WO-2020146613-A1	Kras g12c inhibitors	20190110
WO-2019153080-A1	Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20180206
WO-2020101736-A1	Kras g12c inhibitors	20171115
EP-3523311-A1	Substituted 1h-imidazo[4,5-b]pyridin-2(3h)-ones and their use as glun2b receptor modulators	20161006

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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:	118
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.95427
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.95427
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2