pyrazine-2-carbaldehyde - CAS 5780-66-5

Catalog:	BB029836
Product Name:	pyrazine-2-carbaldehyde
CAS:	5780-66-5
Synonyms:	2-pyrazinecarboxaldehyde; pyrazine-2-carbaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	pyrazine-2-carbaldehyde
Description:	pyrazine-2-carbaldehyde (CAS# 5780-66-5) is a useful research chemical.
Molecular Weight:	108.1
Molecular Formula:	C5H4N2O
Canonical SMILES:	C1=CN=C(C=N1)C=O
InChI:	InChI=1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-4H
InChI Key:	DXBWJLDFSICTIH-UHFFFAOYSA-N
Boiling Point:	192.1 °C at 760 mmHg
Density:	1.234 g/cm³
MDL:	MFCD02179278
LogP:	0.28910

Publication Number	Title	Priority Date
CN-107814737-A	A kind of deuterated VX-960 key intermediate and preparation method thereof	20171114
CN-107814737-B	Deuterated telaprevir key intermediate and preparation method thereof	20171114
CN-107880097-A	A kind of preparation method of deuterated VX-960	20171114
CN-107903304-A	Deuterated telavi and application thereof	20171114
CN-107880097-B	Preparation method of deuterated telaprevir	20171114

PMID	Publication Date	Title	Journal
22590087	20120501	Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN(2))quinoline-κN]zinc	Acta crystallographica. Section E, Structure reports online
22425452	20120415	Discovery of a novel chemotype of potent human ENaC blockers using a bioisostere approach. Part 2: α-Branched quaternary amines	Bioorganic & medicinal chemistry letters
22197144	20120115	Discovery of a novel chemotype of potent human ENaC blockers using a bioisostere approach. Part 1: quaternary amines	Bioorganic & medicinal chemistry letters
22396904	20120101	Synthesis and characterization of organic impurities in bortezomib anhydride produced by a convergent technology	Scientia pharmaceutica
21587650	20100930	tert-Butyl 4-{[5-(4-chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}piperazine-1-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Pyrazines

[56423-63-3]
2-Bromopyrazine
[89284-38-8]
3,5-Dichloro-2-methylpyrazine
[36588-50-8]
(R)-hexahydro-1H-pyrido[1,2-a]pyrazine-1,4(6H)-dione
[1383427-89-1]
(R)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[273-94-9]
1H-Imidazo[4,5-b]pyrazine
[109838-85-9]
(R)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	84.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.032362755
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.032362755
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4