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3-Fluoro-4-iodonitrobenzene

3-Fluoro-4-iodonitrobenzene - CAS 2996-30-7

Catalog:	BB020395
Product Name:	3-Fluoro-4-iodonitrobenzene
CAS:	2996-30-7
Synonyms:	2-fluoro-1-iodo-4-nitrobenzene; 2-fluoro-1-iodo-4-nitrobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-1-iodo-4-nitrobenzene
Description:	3-Fluoro-4-iodonitrobenzene (CAS# 2996-30-7 ) is a useful research chemical.
Molecular Weight:	267.00
Molecular Formula:	C6H3FINO2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])F)I
InChI:	InChI=1S/C6H3FINO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChI Key:	QLAFWGDKYKHVKC-UHFFFAOYSA-N
Boiling Point:	291.5 °C at 760 mmHg
Density:	2.093 g/cm³
LogP:	2.86170

Publication Number	Title	Priority Date
TW-201803871-A	Heterocyclic compound as PI3K-Î³ inhibitor	20160624
US-10138248-B2	Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-b]pyridazines and substituted imidazo[1,2-a]pyrazines as PI3K-Î³ inhibitors	20160624
US-10479795-B2	Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors	20160624
US-2018009816-A1	HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS	20160624
US-2019119287-A1	HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS	20160624

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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:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.91925
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	266.91925
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5