6-Chloro-2-pyrazinol - CAS 4925-61-5

Catalog:	BB026672
Product Name:	6-Chloro-2-pyrazinol
CAS:	4925-61-5
Synonyms:	6-chloro-1H-pyrazin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-chloro-1H-pyrazin-2-one
Description:	6-Chloro-2-pyrazinol (CAS# 4925-61-5) is a useful research chemical.
Molecular Weight:	130.53
Molecular Formula:	C4H3ClN2O
Canonical SMILES:	C1=C(NC(=O)C=N1)Cl
InChI:	InChI=1S/C4H3ClN2O/c5-3-1-6-2-4(8)7-3/h1-2H,(H,7,8)
InChI Key:	SKZXVUPFUHQWKS-UHFFFAOYSA-N
Boiling Point:	419.563 °C at 760 mmHg
Purity:	95 %
Density:	1.513 g/cm³
MDL:	MFCD00204104
LogP:	0.83560

Publication Number	Title	Priority Date
KR-20210059653-A	Glp-1 receptor agonist and use thereof	20191115
WO-2021096304-A1	Glp-1 receptor agonist and use thereof	20191115
WO-2021066958-A1	Inhibitor of btk and mutants thereof	20191005
WO-2020176403-A1	Inhibitor of btk and mutants thereof	20190225
CN-107556252-A	Phenylpropionic acid compound, its pharmaceutical composition, preparation method and the purposes that a kind of loop chain containing pyrazine connects	20160630

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (50%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.9933904
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.9933904
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1