5-Bromo-2-iodopyrimidine - CAS 183438-24-6

Catalog:	BB014059
Product Name:	5-Bromo-2-iodopyrimidine
CAS:	183438-24-6
Synonyms:	5-bromo-2-iodopyrimidine

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Computed Properties

IUPAC Name:	5-bromo-2-iodopyrimidine
Description:	5-Bromo-2-iodopyrimidine (CAS# 183438-24-6) is used to prepare pyrazinylpyridines as potent vascular endothelial growth factor receptor-2 inhibitors. It is also used to prepare novel conformationally constrained glucagon receptor antagonists.
Molecular Weight:	284.88
Molecular Formula:	C4H2BrIN2
Canonical SMILES:	C1=C(C=NC(=N1)I)Br
InChI:	InChI=1S/C4H2BrIN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChI Key:	ZEZKXPQIDURFKA-UHFFFAOYSA-N
Boiling Point:	341 °C at 760 mmHg
Purity:	97.0 %
Density:	2.495 g/cm³
MDL:	MFCD01318111
LogP:	1.84370

Publication Number	Title	Priority Date
CN-112812320-A	Preparation of nitrogen-substituted metal organic framework material and high-pressure methane storage application thereof	20210308
CN-111205272-A	Material for organic electroluminescent device and organic electroluminescent device thereof	20200220
CN-111205272-B	Material for organic electroluminescent device and organic electroluminescent device thereof	20200220
CN-113082224-A	Pyridopyrimidine derivative conjugate, preparation method thereof and application thereof in medicines	20200108
CN-113087704-A	Preparation method and application of protein degradation agent compound	20191223

PMID	Publication Date	Title	Journal
21678535	20110718	Enantioselective C-C bond formation as a result of the oriented prochirality of an achiral aldehyde at the single-crystal face upon treatment with a dialkyl zinc vapor	Angewandte Chemie (International ed. in English)
15527288	20041112	A new series of pyrimidine-containing linear molecules: their elegant crystal structures and intriguing photophysical properties	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (82.35%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	72.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.84461
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.84461
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6