2-Bromo-4-fluoro-5-methylbenzonitrile - CAS 916792-07-9

Catalog:	BB040312
Product Name:	2-Bromo-4-fluoro-5-methylbenzonitrile
CAS:	916792-07-9
Synonyms:	2-bromo-4-fluoro-5-methylbenzonitrile; 2-bromo-4-fluoro-5-methylbenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-fluoro-5-methylbenzonitrile
Description:	2-Bromo-4-fluoro-5-methylbenzonitrile (CAS# 916792-07-9) is a useful research chemical.
Molecular Weight:	214.03
Molecular Formula:	C8H5BrFN
Canonical SMILES:	CC1=C(C=C(C(=C1)C#N)Br)F
InChI:	InChI=1S/C8H5BrFN/c1-5-2-6(4-11)7(9)3-8(5)10/h2-3H,1H3
InChI Key:	GFLYZSZBOYNJRI-UHFFFAOYSA-N
LogP:	2.76828

Publication Number	Title	Priority Date
EP-3333157-A1	Vinyl compounds as fgfr and vegfr inhibitors	20150807
JP-2018531218-A	Vinyl compounds that are FGFR and VEGFR inhibitors	20150807
US-10519133-B2	Vinyl compounds as FGFR and VEGFR inhibitors	20150807
US-2018222886-A1	Vinyl compounds as fgfr and vegfr inhibitors	20150807
WO-2017024968-A1	Vinyl compounds as fgfr and vegfr inhibitors	20150807

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Related Functional Groups

Nitrogen Compounds

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.95894
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.95894
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8