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6-Bromo-2,3-difluorotoluene

6-Bromo-2,3-difluorotoluene - CAS 847502-81-2

Catalog:	BB037287
Product Name:	6-Bromo-2,3-difluorotoluene
CAS:	847502-81-2
Synonyms:	1-bromo-3,4-difluoro-2-methylbenzene; 1-bromo-3,4-difluoro-2-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-3,4-difluoro-2-methylbenzene
Description:	6-Bromo-2,3-difluorotoluene (CAS# 847502-81-2) is a useful research chemical.
Molecular Weight:	207.02
Molecular Formula:	C7H5BrF2
Canonical SMILES:	CC1=C(C=CC(=C1F)F)Br
InChI:	InChI=1S/C7H5BrF2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
InChI Key:	YXTCBTSPHSNDHD-UHFFFAOYSA-N
Boiling Point:	182.7 °C at 760 mmHg
Density:	1.588 g/cm³
MDL:	MFCD07777161
LogP:	3.03570

Publication Number	Title	Priority Date
JP-2021147365-A	Fluorine-containing thalidomide derivative and pharmaceutical composition and its production method	20200323
US-2021198241-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
WO-2021113627-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206
WO-2020146682-A1	Carboxamides as modulators of sodium channels	20190110
EP-2424869-A1	5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS	20090429

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GHS Hazard Statement:	H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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