3-Chloro-6-iodopyridazine - CAS 135034-10-5

Catalog:	BB008054
Product Name:	3-Chloro-6-iodopyridazine
CAS:	135034-10-5
Synonyms:	3-chloro-6-iodopyridazine; 3-chloro-6-iodopyridazine

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Computed Properties

IUPAC Name:	3-chloro-6-iodopyridazine
Description:	3-Chloro-6-iodopyridazine (CAS# 135034-10-5) is a reactant in the Suzuki-Miyaura coupling reaction as well as a reactant in the synthesis of 6-Chloropyridazine-3-carbonitrile (C368635).
Molecular Weight:	240.43
Molecular Formula:	C4H2ClIN2
Canonical SMILES:	C1=CC(=NN=C1Cl)I
InChI:	InChI=1S/C4H2ClIN2/c5-3-1-2-4(6)8-7-3/h1-2H
InChI Key:	PNEPCDPKMXJYIQ-UHFFFAOYSA-N
Boiling Point:	327.705 °C at 760 mmHg
Density:	2.188 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD08275187
LogP:	1.73460

Publication Number	Title	Priority Date
CN-111662235-A	Benzoyl pyridazine derivative and preparation method thereof	20200623
WO-2021174176-A1	Pyridazine dervatives for modulating nucleic acid splicing	20200228
WO-2021154966-A1	Compounds and compositions for use in treating skin disorders	20200129
WO-2021070957-A1	Benzene condensed ring compound and medical composition containing same	20191009
WO-2020074560-A1	Process for preparing substituted imidazole derivatives	20181011

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	80.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.89512
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.89512
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5