2,2'-Bipyrimidine - CAS 34671-83-5

Catalog:	BB022235
Product Name:	2,2'-Bipyrimidine
CAS:	34671-83-5
Synonyms:	2-pyrimidin-2-ylpyrimidine

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Computed Properties

IUPAC Name:	2-pyrimidin-2-ylpyrimidine
Description:	2,2'-Bipyrimidine (CAS# 34671-83-5) is a useful research chemical.
Molecular Weight:	158.16
Molecular Formula:	C8H6N4
Canonical SMILES:	C1=CN=C(N=C1)C2=NC=CC=N2
InChI:	InChI=1S/C8H6N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1-6H
InChI Key:	HKOAFLAGUQUJQG-UHFFFAOYSA-N
Boiling Point:	395.4 °C at 760 mmHg
Melting Point:	112-116 °C
Purity:	98 %
Density:	1.239 g/cm³
Appearance:	White to tan to orange powder, crystals or crystalline powder and/or chunks
MDL:	MFCD00014600
LogP:	0.93360

Publication Number	Title	Priority Date
CN-113429428-A	Octahydropyrazinopyrimidine molecular clamp compound, preparation method and application thereof	20210726
CN-113243378-A	Bispyribac-sodium-containing compound weeding composition and application thereof	20210513
CN-112964762-A	Polyacid-based complex for preparing electrochemical sensor working electrode for detecting Cr (VI) and application thereof	20210123
CN-112471146-A	Environment-friendly pesticide hand polishing agent and preparation method thereof	20201026
CN-111617803-A	Catalyst for synthesizing dimethyl carbonate by oxidative carbonylation, preparation method and application thereof	20200710

PMID	Publication Date	Title	Journal
22990387	20121114	A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions	Dalton transactions (Cambridge, England : 2003)
22975792	20121107	V(IV)O and Cu(II) complexation by ligands based on pyridine nitrogen donors	Dalton transactions (Cambridge, England : 2003)
22653608	20121001	Photodissociation of a ruthenium(II) arene complex and its subsequent interactions with biomolecules: a density functional theory study	Journal of molecular modeling
22791215	20121001	Bipyrimidine ruthenium(II) arene complexes: structure, reactivity and cytotoxicity	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
22780837	20120901	Photoinduced damage to cellular DNA: direct and photosensitized reactions	Photochemistry and photobiology

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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:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.059246208
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.059246208
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2