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1,2,3-Trifluoro-4-iodobenzene

1,2,3-Trifluoro-4-iodobenzene - CAS 459424-72-7

Catalog:	BB026027
Product Name:	1,2,3-Trifluoro-4-iodobenzene
CAS:	459424-72-7
Synonyms:	1,2,3-trifluoro-4-iodobenzene; 1,2,3-trifluoro-4-iodobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,2,3-trifluoro-4-iodobenzene
Description:	1,2,3-Trifluoro-4-iodobenzene (CAS# 459424-72-7) is a useful research chemical.
Molecular Weight:	257.98
Molecular Formula:	C6H2F3I
Canonical SMILES:	C1=CC(=C(C(=C1F)F)F)I
InChI:	InChI=1S/C6H2F3I/c7-3-1-2-4(10)6(9)5(3)8/h1-2H
InChI Key:	YDSUNVSIBZATIU-UHFFFAOYSA-N
Boiling Point:	182.4 °C at 760 mmHg
Density:	2.078 g/cm³
MDL:	MFCD03788551
LogP:	2.70850

Publication Number	Title	Priority Date
WO-2021015522-A1	Novel compound and organic light emitting device comprising same	20190724
EP-3515914-A1	NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES	20160924
WO-2018054365-A1	NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES	20160924
US-10882856-B2	5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases	20160924
WO-2016187788-A1	Fused tricyclic heterocyclic compounds useful for treating hiv infection	20150525

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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:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.91533
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.91533
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9