1-Chlorophthalazine - CAS 5784-45-2

Catalog:	BB062449
Product Name:	1-Chlorophthalazine
CAS:	5784-45-2
Synonyms:	1-Chloro-phthalazine; NSC 71104

Technical Data

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Computed Properties

IUPAC Name:	1-chlorophthalazine
Description:	1-Chlorophthalazine is a useful reagent for the photoelectrochemical dehydrogenative cross-?coupling of heteroarenes, which are structural motifs.
Molecular Weight:	164.59
Molecular Formula:	C8H5ClN2
Canonical SMILES:	C1=CC=C2C(=C1)C=NN=C2Cl
InChI:	InChI=1S/C8H5ClN2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H
InChI Key:	UCOVESIAFFGEOR-UHFFFAOYSA-N
Melting Point:	>110C (dec.)
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Yellow to Dark Orange Solid
Storage:	-20°C, Inert atmosphere
References:	Xu, P., et al. Angew. Chem. Int. Ed., 59, 14275 (2020).

Publication Number	Title	Priority Date
CN-113461739-A	Red light organic electrophosphorescent material and preparation method and application thereof	20210720
CN-112334195-A	anti-CD 40 antibodies for the treatment of autoimmune diseases	20180629
CN-111936857-A	Agents and methods for predicting response to therapy	20180115
TW-201922749-A	Mixture of bis(hydroxymethyl)pyrrolopyridazine, preparation method and use thereof	20171117
WO-2019099755-A1	Bis(hydroxymethyl) pyrrolophthalazine hybrids, preparation methods and uses thereof	20171117
CN-111712246-A	Bis (hydroxymethyl) pyrrolophthalazine heterozygote, preparation method and application thereof	20171117
EP-3710005-A1	Bis(hydroxymethyl) pyrrolophthalazine hybrids, preparation methods and uses thereof	20171117
TW-I695839-B	Bis(hydroxymethyl)pyrrolophthalazine hybrids, preparation methods and uses thereof	20171117
US-2020339584-A1	Bis(hydroxymethyl)pyrrolophthalazine hybrids, preparation methods and uses thereof	20171117
JP-2021503453-A	Bis (hydroxymethyl) pyrolophthalazine hybrid, preparation method and its use	20171117

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.0141259
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1