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2-Fluoro-1-nitro-3-(trifluoromethyl)benzene

2-Fluoro-1-nitro-3-(trifluoromethyl)benzene - CAS 61324-97-8

Catalog:	BB031057
Product Name:	2-Fluoro-1-nitro-3-(trifluoromethyl)benzene
CAS:	61324-97-8
Synonyms:	2-fluoro-1-nitro-3-(trifluoromethyl)benzene; 2-fluoro-1-nitro-3-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-1-nitro-3-(trifluoromethyl)benzene
Description:	2-Fluoro-1-nitro-3-(trifluoromethyl)benzene (CAS# 61324-97-8) is a useful research chemical.
Molecular Weight:	209.10
Molecular Formula:	C7H3F4NO2
Canonical SMILES:	C1=CC(=C(C(=C1)[N+](=O)[O-])F)C(F)(F)F
InChI:	InChI=1S/C7H3F4NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H
InChI Key:	PGKWPKDZNHZBQK-UHFFFAOYSA-N
MDL:	MFCD08532487
LogP:	3.27590

Publication Number	Title	Priority Date
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
CN-111848598-A	Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound	20190426
AU-2018218965-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
AU-2018218965-B2	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
CA-3049643-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207

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Related Functional Groups

Nitrogen Compounds

[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
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine
[7492-88-8]
3-piperidinecarbonitrile
[2096992-18-4]
(3-((tert-butoxycarbonyl)amino)bicyclo[1.1.1]pentan-1-yl)methyl methanesulfonate

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:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.00999099
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.00999099
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7