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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

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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

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[618-40-6]
1-Methyl-1-phenylhydrazine
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

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Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-

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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:	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