5-Fluoro-2-nitroaniline - CAS 2369-11-1

Catalog:	BB018148
Product Name:	5-Fluoro-2-nitroaniline
CAS:	2369-11-1
Synonyms:	5-fluoro-2-nitroaniline; 5-fluoro-2-nitroaniline

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Computed Properties

IUPAC Name:	5-fluoro-2-nitroaniline
Description:	5-Fluoro-2-nitroaniline (CAS# 2369-11-1) is a reactant used in the synthesis of fluorine-contg. benzimidazoles with anti-lipase activity.
Molecular Weight:	156.11
Molecular Formula:	C6H5FN2O2
Canonical SMILES:	C1=CC(=C(C=C1F)N)[N+](=O)[O-]
InChI:	InChI=1S/C6H5FN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
InChI Key:	PEDMFCHWOVJDNW-UHFFFAOYSA-N
Boiling Point:	295.5 °C at 760 mmHg
Density:	1.448 g/cm³
LogP:	2.42050

Publication Number	Title	Priority Date
CN-111362867-A	Mobile terminal, shell assembly, electrochromic material and preparation method thereof	20200420
WO-2021193756-A1	Novel benzimidazole derivative	20200325
WO-2021136805-A1	NOVEL PqsR INVERSE AGONISTS	20200102
CN-113087671-A	Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof	20191223
WO-2021129561-A1	Cyano-substituted pyridine and cyano-substituted pyrimidine compound and preparation method therefor and application thereof	20191223

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GHS Hazard Statement:	H301+H311+H331 (90.48%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P311, P312, P314, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.03350557
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.03350557
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3