4-Bromopyrimidine - CAS 31462-56-3

Catalog:	BB020927
Product Name:	4-Bromopyrimidine
CAS:	31462-56-3
Synonyms:	4-bromopyrimidine; 4-bromopyrimidine

Technical Data

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Computed Properties

IUPAC Name:	4-bromopyrimidine
Description:	4-Bromopyrimidine (CAS# 31462-56-3 ) is a useful research chemical.
Molecular Weight:	158.98
Molecular Formula:	C4H3BrN2
Canonical SMILES:	C1=CN=CN=C1Br
InChI:	InChI=1S/C4H3BrN2/c5-4-1-2-6-3-7-4/h1-3H
InChI Key:	XDADSGBUZWZQQQ-UHFFFAOYSA-N
Boiling Point:	201.431 °C at 760 mmHg
Density:	1.727 g/cm³
LogP:	1.23910

Publication Number	Title	Priority Date
WO-2021099527-A1	Pyrrolidine derivatives	20191122
WO-2021088243-A1	Thermally activated delayed fluorescent material and preparation method therefor	20191106
WO-2021076945-A1	Tropolone derivatives and tautomers thereof for iron regulation in animals	20191016
WO-2020231739-A2	Compounds and methods for treating cancer	20190510
CN-109942567-A	A kind of 1,3,4- dislikes the glyoxaline compound and its preparation method and application of (thiophene) di azoly	20190430

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P270, P273, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	57.7
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5