1,3-Diiodobenzene - CAS 626-00-6

Name: 1,3-Diiodobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031680
Product Name:	1,3-Diiodobenzene
CAS:	626-00-6
Synonyms:	1,3-diiodobenzene

Technical Data

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Literatures

Computed Properties

IUPAC Name:	1,3-diiodobenzene
Description:	1,3-Diiodobenzene (CAS# 626-00-6) is a common chemical reagent used in the synthesis of multinuclear complexes of large porphyrinoids. Also used in the synthesis of small molecular probes as sensors with low viscosity values.
Molecular Weight:	329.90
Molecular Formula:	C6H4I2
Canonical SMILES:	C1=CC(=CC(=C1)I)I
InChI:	InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H
InChI Key:	SFPQFQUXAJOWNF-UHFFFAOYSA-N
Boiling Point:	285 °C
Melting Point:	34-37 °C (lit.)
Purity:	95 %
Density:	2.47 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00041731
LogP:	2.89580

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Related Functional Groups

Halides

[134005-20-2]C4H6I2
(Z)-1,3-Diiodo-2-butene
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[2114-39-8]C9H11Br
2-Bromo-1-phenylpropane

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
19241417	20090301	Synthesis of polyphenylene molecular wires by surface-confined polymerization	Small (Weinheim an der Bergstrasse, Germany)
18975684	20081001	Novel x-ray attenuation mechanism: role of interatomic distance	Medical physics

Complexity:	64.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	329.84025
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	329.84025
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2