5-Bromopyrimidine - CAS 4595-59-9

Catalog:	BB026032
Product Name:	5-Bromopyrimidine
CAS:	4595-59-9
Synonyms:	5-bromopyrimidine

Technical Data

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Computed Properties

IUPAC Name:	5-bromopyrimidine
Description:	5-Bromopyrimidine (CAS# 4595-59-9) is a compound useful in organic synthesis.
Molecular Weight:	158.98
Molecular Formula:	C4H3BrN2
Canonical SMILES:	C1=C(C=NC=N1)Br
InChI:	InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
InChI Key:	GYCPLYCTMDTEPU-UHFFFAOYSA-N
Boiling Point:	201.4 °C at 760 mmHg
Purity:	99 %
Density:	1.726 g/cm³
Appearance:	Dry powder
MDL:	MFCD00006117
LogP:	1.23910

Publication Number	Title	Priority Date
CN-113461669-A	Novel androgen receptor degradation agent, preparation method and medical application	20210322
CN-111548350-A	Polycyclic aromatic hydrocarbon aza-naphthalene derivative, synthetic method and electronic device thereof	20200416
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327

PMID	Publication Date	Title	Journal
22890246	20121021	A highly efficient and aerobic protocol for the synthesis of N-heteroaryl substituted 9-arylcarbazolyl derivatives via a palladium-catalyzed ligand-free Suzuki reaction	Organic & biomolecular chemistry
22199599	20111201	trans-Bromido(pyrimidinyl-κC)bis-(triphenyl-phosphane-κP)palladium(II)	Acta crystallographica. Section E, Structure reports online
19045195	20081021	The Auger spectroscopy of pyrimidine and halogen-substituted pyrimidines	The Journal of chemical physics
17539622	20070628	Novel C-6 fluorinated acyclic side chain pyrimidine derivatives: synthesis, (1)H and (13)C NMR conformational studies, and antiviral and cytostatic evaluations	Journal of medicinal chemistry
15534714	20041121	Ethynyl pi-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties	Organic & biomolecular chemistry

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GHS Hazard Statement:	H315 (58.82%): 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:	51.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.94796
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.94796
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7