3,6-Diiodopyridazine - CAS 20698-04-8

Catalog:	BB016158
Product Name:	3,6-Diiodopyridazine
CAS:	20698-04-8
Synonyms:	3,6-diiodopyridazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,6-diiodopyridazine
Description:	3,6-Diiodopyridazine (CAS# 20698-04-8) is used as a reactant in the preparation of conjugated ethynyl and vinylpyridazines as rod-like conjugated molecules with light-emitting properties.
Molecular Weight:	331.88
Molecular Formula:	C4H2I2N2
Canonical SMILES:	C1=CC(=NN=C1I)I
InChI:	InChI=1S/C4H2I2N2/c5-3-1-2-4(6)8-7-3/h1-2H
InChI Key:	GCLHXKPPHRIJOE-UHFFFAOYSA-N
Boiling Point:	382.2 °C at 760 mmHg
Melting Point:	170-172 °C
Purity:	98 %
Density:	2.765 g/cm³
MDL:	MFCD01004249
LogP:	1.68580

Publication Number	Title	Priority Date
WO-2021174170-A1	Pyridazine dervatives for modulating nucleic acid splicing	20200228
WO-2021174176-A1	Pyridazine dervatives for modulating nucleic acid splicing	20200228
US-2021024495-A1	Novel pyridazines	20190722
WO-2021013830-A1	N-methyl, n-(6-(methoxy)pyridazin-3-yl) amine derivatives as autotaxin (atx) modulators for the treatment of inflammatory airway or fibrotic diseases	20190722
WO-2021013833-A1	N-methyl, n-(6-(methoxy)pyridazin-3-yl) amine derivatives as autotaxin (atx) modulators for the treatment of inflammatory airway or fibrotic diseases	20190722

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Related Functional Groups

Pyridazines

[438220-52-1]
N-(6-Chloropyridazin-3-yl)benzene-1,4-diamine
[2163817-03-4]
4-(4,5-Dibromo-6-oxo-1,6-dihydropyridazin-1-yl)benzene-1-sulfonamide
[40380-36-7]
5,6-Dimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile
[1490-44-4]
3-Chloro-6-phenoxypyridazine
[1008517-75-6]
5-(Benzyloxy)-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one
[110310-26-4]
4,5-Dichloro-2-(2-methylphenyl)pyridazin-3(2H)-one

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	68.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	331.83074
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	331.83074
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2