2-Amino-3,6-difluorobenzonitrile - CAS 190011-81-5

Catalog:	BB014690
Product Name:	2-Amino-3,6-difluorobenzonitrile
CAS:	190011-81-5
Synonyms:	2-amino-3,6-difluorobenzonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-3,6-difluorobenzonitrile
Description:	2-Amino-3,6-difluorobenzonitrile (CAS# 190011-81-5 ) is a useful research chemical.
Molecular Weight:	154.12
Molecular Formula:	C7H4F2N2
Canonical SMILES:	C1=CC(=C(C(=C1F)C#N)N)F
InChI:	InChI=1S/C7H4F2N2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-2H,11H2
InChI Key:	ZPQFHGOBMGGBEP-UHFFFAOYSA-N
LogP:	1.99988

Publication Number	Title	Priority Date
US-2020407344-A1	Compounds for the treatment of braf-associated diseases and disorders	20190628
WO-2020261156-A1	Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders	20190628
WO-2012118492-A1	Heterocyclic sulfonamides as raf inhibitors	20110301
CA-2772071-A1	Raf inhibitor compounds and methods of use thereof	20090828
EP-2493865-A2	Raf inhibitor compounds and methods of use thereof	20090828

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Related Functional Groups

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Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]
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[247077-46-9]
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[351-28-0]
3'-Fluoroacetanilide

Other Pyrimidines

[2367-82-0]
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[937601-34-8]
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[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1632145-37-9]
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[81290-20-2]
Trimethyl(trifluoromethyl)silane
[1489-53-8]
1,2,3-Trifluorobenzene

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:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.03425446
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.03425446
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7