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3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide

3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide - CAS 40127-89-7

Catalog:	BB024316
Product Name:	3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide
CAS:	40127-89-7
Synonyms:	6-(chloromethyl)-4-hydroxy-3-iminopyrazine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-(chloromethyl)-4-hydroxy-3-iminopyrazine-2-carbonitrile
Description:	3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide (CAS# 40127-89-7) is a useful research chemical.
Molecular Weight:	184.58
Molecular Formula:	C6H5ClN4O
Canonical SMILES:	C1=C(N=C(C(=N)N1O)C#N)CCl
InChI:	InChI=1S/C6H5ClN4O/c7-1-4-3-11(12)6(9)5(2-8)10-4/h3,9,12H,1H2
InChI Key:	WFVMXQJFTZCDPJ-UHFFFAOYSA-N
Boiling Point:	594.424 °C at 760 mmHg
Density:	1.588 g/cm³
Appearance:	Yellow to brown solid
MDL:	MFCD00006123
LogP:	1.28398

Publication Number	Title	Priority Date
CA-2791015-A1	Photovoltaic module with stabilized polymer	20100319
EP-2380208-A1	Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound	20090122
JP-2012516062-A	Solar cell module having poly (vinyl butyral) encapsulant containing unsaturated heterocyclic compound	20090122
KR-20110124234-A	Solar cell module with poly (vinyl butyral) sealant comprising unsaturated heterocyclic compound	20090122
US-2010180947-A1	Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound	20090122

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Related Functional Groups

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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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	324
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0151885
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	184.0151885
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4