5,8-Dichloropyrido[3,2-d]pyridazine - CAS 703-33-3

Catalog:	BB034132
Product Name:	5,8-Dichloropyrido[3,2-d]pyridazine
CAS:	703-33-3
Synonyms:	5,8-dichloropyrido[2,3-d]pyridazine; 5,8-dichloropyrido[2,3-d]pyridazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5,8-dichloropyrido[2,3-d]pyridazine
Description:	5,8-Dichloropyrido[3,2-d]pyridazine (CAS# 703-33-3) is a useful research chemical.
Molecular Weight:	200.02
Molecular Formula:	C7H3Cl2N3
Canonical SMILES:	C1=CC2=C(C(=NN=C2Cl)Cl)N=C1
InChI:	InChI=1S/C7H3Cl2N3/c8-6-4-2-1-3-10-5(4)7(9)12-11-6/h1-3H
InChI Key:	QNGKPMNRSDSBMD-UHFFFAOYSA-N
Boiling Point:	419.5 °C at 760 mmHg
Density:	1.573 g/cm³
LogP:	2.33160

Publication Number	Title	Priority Date
AU-2018273356-A1	KRAS G12C inhibitors and methods of using the same	20170522
CA-3063469-A1	Kras g12c inhibitors and methods of using the same	20170522
CN-110997668-A	KRAS G12C inhibitors and methods of use thereof	20170522
EP-3630761-A1	Kras g12c inhibitors and methods of using the same	20170522
JP-2019031476-A	KRAS G12C inhibitor and method of using the same	20170522

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.9704025
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.9704025
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2