3-Chloro-2-fluoroiodobenzene - CAS 72373-82-1

Catalog:	BB034610
Product Name:	3-Chloro-2-fluoroiodobenzene
CAS:	72373-82-1
Synonyms:	Benzene, 1-chloro-2-fluoro-3-iodo-; 2-Chloro-6-iodofluorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-chloro-2-fluoro-3-iodobenzene
Molecular Weight:	256.44
Molecular Formula:	C6H3ClFI
Canonical SMILES:	C1=CC(=C(C(=C1)I)F)Cl
InChI:	InChI=1S/C6H3ClFI/c7-4-2-1-3-5(9)6(4)8/h1-3H
InChI Key:	MHRRZKUNYYQXTA-UHFFFAOYSA-N
Boiling Point:	229.9±20.0°C at 760 mmHg
Purity:	≥95%
Density:	2.008±0.06 g/cm3
Appearance:	Off-white Fused Solid
Storage:	Store at 2-8°C, protect from light
MDL:	MFCD03094152
LogP:	3.08370

Publication Number	Title	Priority Date
CN-112321595-A	Compound, electronic element and electronic device	20201029
KR-20190120082-A	Host materials for electroluminescent devices	20180413
US-2019315759-A1	Host materials for electroluminescent devices	20180413
WO-2019070083-A1	COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE	20171006
US-2020321536-A1	Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device	20171006

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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:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.8952
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.8952
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3