3,4,5-Trichloropyridazine - CAS 14161-11-6

Catalog:	BB009204
Product Name:	3,4,5-Trichloropyridazine
CAS:	14161-11-6
Synonyms:	3,4,5-trichloropyridazine; 3,4,5-trichloropyridazine

Technical Data

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Computed Properties

IUPAC Name:	3,4,5-trichloropyridazine
Description:	3,4,5-Trichloropyridazine (CAS# 14161-11-6) is a useful research chemical.
Molecular Weight:	183.42
Molecular Formula:	C4HCl3N2
Canonical SMILES:	C1=C(C(=C(N=N1)Cl)Cl)Cl
InChI:	InChI=1S/C4HCl3N2/c5-2-1-8-9-4(7)3(2)6/h1H
InChI Key:	GBAOOJAWDCNOGO-UHFFFAOYSA-N
Boiling Point:	322.8 °C at 760 mmHg
Density:	1.641 g/cm³
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00006464
LogP:	2.43680

Publication Number	Title	Priority Date
CN-110903248-A	Synthesis method of 5-chloro-4-aminopyridazine	20191225
WO-2021026672-A1	Heterocyclic wdr5 inhibitors as anti-cancer compounds	20190809
WO-2020054484-A1	Modified multi-component copolymer, rubber composition, resin composition, tire and resin product	20180914
EP-3851489-A1	Modified multi-component copolymer, rubber composition, resin composition, tire and resin product	20180914
US-2019374542-A1	Kras g12c inhibitors and methods of using the same	20180612

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GHS Hazard Statement:	H301 (97.62%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.920531
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.920531
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1