2,6-Difluoroiodobenzene - CAS 13697-89-7

Catalog:	BB008488
Product Name:	2,6-Difluoroiodobenzene
CAS:	13697-89-7
Synonyms:	1,3-difluoro-2-iodobenzene; 1,3-difluoro-2-iodobenzene

Technical Data

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Computed Properties

IUPAC Name:	1,3-difluoro-2-iodobenzene
Description:	2,6-Difluoroiodobenzene (CAS# 13697-89-7) is a useful research chemical.
Molecular Weight:	239.99
Molecular Formula:	C6H3F2I
Canonical SMILES:	C1=CC(=C(C(=C1)F)I)F
InChI:	InChI=1S/C6H3F2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChI Key:	VQMXWPLTZBKNEH-UHFFFAOYSA-N
Boiling Point:	186.1 °C at 760 mmHg
Density:	2.001 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD04039247
LogP:	2.56940

Publication Number	Title	Priority Date
CN-111440137-A	3, 4-benzocoumarin derivative and preparation method and application thereof	20200428
US-2021205311-A1	Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors	20200103
US-2021230294-A1	Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy	20200103
WO-2021138512-A1	Combination therapy comprising a2a/a2b and pd-1/pd-l1 inhibitors	20200103
CN-110903311-A	Polycyclic organoboron derivatives and electronic devices	20191120

PMID	Publication Date	Title	Journal
19851571	20091114	Laser-induced 3D alignment and orientation of quantum state-selected molecules	Physical chemistry chemical physics : PCCP

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GHS Hazard Statement:	H227 (33.33%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.92475
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.92475
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8