3,5-Difluoro-2-nitroaniline - CAS 361-72-8

Catalog:	BB022891
Product Name:	3,5-Difluoro-2-nitroaniline
CAS:	361-72-8
Synonyms:	3,5-difluoro-2-nitroaniline; 3,5-difluoro-2-nitroaniline

Technical Data

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Computed Properties

IUPAC Name:	3,5-difluoro-2-nitroaniline
Description:	3,5-Difluoro-2-nitroaniline (CAS# 361-72-8) is a useful research chemical.
Molecular Weight:	174.10
Molecular Formula:	C6H4F2N2O2
Canonical SMILES:	C1=C(C=C(C(=C1F)[N+](=O)[O-])N)F
InChI:	InChI=1S/C6H4F2N2O2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H,9H2
InChI Key:	ZULNIHUDSFLCBT-UHFFFAOYSA-N
Boiling Point:	306.6 °C at 760 mmHg
Density:	1.554 g/cm³
LogP:	2.55960

Publication Number	Title	Priority Date
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2021026479-A1	Small molecule inhibitors of s1p2 receptor and uses thereof	20190807
WO-2019143677-A1	Quinoxalinone compounds, compositions, methods, and kits for increasing genome editing efficiency	20180117
AU-2019209292-A1	Quinoxalinone compounds, compositions, methods, and kits for increasing genome editing efficiency	20180117
BR-112020013626-A2	quinoxalinone compounds, compositions, methods and kits to increase genome editing efficiency	20180117

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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:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.02408370
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.02408370
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8