1-Chloro-6,7-dimethoxyphthalazine - CAS 70724-23-1

Catalog:	BB070143
Product Name:	1-Chloro-6,7-dimethoxyphthalazine
CAS:	70724-23-1
Synonyms:	1-Chloro-6,7-dimethoxyphthalazine; 1-CHLORO-6,7-DIMETHOXY-PHTHALAZINE; 1-Chloro-6,7-dimethoxy phthalazine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-chloro-6,7-dimethoxyphthalazine
Description:	A useful intermediate in the preparation of Carbazeran (C175790), a phosphodiesterase inhibitor drug.
Molecular Weight:	224.64
Molecular Formula:	C10H9ClN2O2
Canonical SMILES:	COC1=C(C=C2C(=C1)C=NN=C2Cl)OC
InChI:	InChI=1S/C10H9ClN2O2/c1-14-8-3-6-5-12-13-10(11)7(6)4-9(8)15-2/h3-5H,1-2H3
InChI Key:	DSFKIBHRGIYRNZ-UHFFFAOYSA-N
Solubility:	Dichloromethane, Methanol
Appearance:	Yellow Solid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.0352552
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.0352552
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2