4-(tert-Butyl)-3,6-dichloropyridazine - CAS 22808-29-3

Catalog:	BB017754
Product Name:	4-(tert-Butyl)-3,6-dichloropyridazine
CAS:	22808-29-3
Synonyms:	4-tert-butyl-3,6-dichloropyridazine; 4-tert-butyl-3,6-dichloropyridazine

Technical Data

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Computed Properties

IUPAC Name:	4-tert-butyl-3,6-dichloropyridazine
Description:	4-(tert-Butyl)-3,6-dichloropyridazine (CAS# 22808-29-3) is a compound useful in organic synthesis.
Molecular Weight:	205.08
Molecular Formula:	C8H10Cl2N2
Canonical SMILES:	CC(C)(C)C1=CC(=NN=C1Cl)Cl
InChI:	InChI=1S/C8H10Cl2N2/c1-8(2,3)5-4-6(9)11-12-7(5)10/h4H,1-3H3
InChI Key:	DTUZXHRABOWYAE-UHFFFAOYSA-N
Boiling Point:	297.3 °C at 760 mmHg
Density:	1.231 g/cm³
MDL:	MFCD01938756
LogP:	3.08090

Publication Number	Title	Priority Date
CN-112645936-A	Substituted pyridazinone compound and use thereof	20201217
WO-2021119254-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191210
US-2020062742-A1	Thyroid hormone receptor beta agonist compounds	20180824
WO-2020041741-A1	Thyroid hormone receptor beta agonist compounds	20180824
TW-202023560-A	Thyroid hormone receptor beta agonist compounds	20180824

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.0221037
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.0221037
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4