5-Bromo-2-chloropyrimidine - CAS 32779-36-5

Catalog:	BB021407
Product Name:	5-Bromo-2-chloropyrimidine
CAS:	32779-36-5
Synonyms:	5-bromo-2-chloropyrimidine

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Computed Properties

IUPAC Name:	5-bromo-2-chloropyrimidine
Description:	5-Bromo-2-chloropyrimidine (CAS# 32779-36-5) is an intermediate in the synthesis of pharmaceutical goods such as inhibitors.
Molecular Weight:	193.43
Molecular Formula:	C4H2BrClN2
Canonical SMILES:	C1=C(C=NC(=N1)Cl)Br
InChI:	InChI=1S/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChI Key:	XPGIBDJXEVAVTO-UHFFFAOYSA-N
Boiling Point:	95 °C / 15 mmHg
Purity:	97.0 %
Density:	1.86 g/cm³
MDL:	MFCD00483232
LogP:	1.89250

Publication Number	Title	Priority Date
CN-112679439-A	Preparation method of 2-chloro-5-methylthiopyrimidine	20201225
CN-112679418-A	Nitrogen-containing aromatic heterocyclic diamine and preparation method thereof	20201224
CN-112898198-A	Nitrogen-containing aromatic heterocyclic nitro compound and preparation method and application thereof	20201224
WO-2021208850-A1	Nitroimidazole derivative, preparation method therefor and use thereof	20200417
CN-111548350-A	Polycyclic aromatic hydrocarbon aza-naphthalene derivative, synthetic method and electronic device thereof	20200416

PMID	Publication Date	Title	Journal
18672880	20080904	Cross-coupling reactions of indium organometallics with 2,5-dihalopyrimidines: synthesis of hyrtinadine A	Organic letters

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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:	72.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.90899
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.90899
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9