2,4,6-Tribromopyrimidine - CAS 36847-11-7

Catalog:	BB023108
Product Name:	2,4,6-Tribromopyrimidine
CAS:	36847-11-7
Synonyms:	2,4,6-tribromopyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2,4,6-tribromopyrimidine
Description:	2,4,6-Tribromopyrimidine (CAS# 36847-11-7) is a useful research chemical.
Molecular Weight:	316.78
Molecular Formula:	C4HBr3N2
Canonical SMILES:	C1=C(N=C(N=C1Br)Br)Br
InChI:	InChI=1S/C4HBr3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChI Key:	AHEYFWKLKMOHCI-UHFFFAOYSA-N
Boiling Point:	369.1 °C at 760 mmHg
Purity:	95 %
Density:	2.545 g/cm³
MDL:	MFCD00233942
LogP:	2.76410

Publication Number	Title	Priority Date
CN-112390784-A	Organic compound, and organic light emitting diode and organic light emitting display device including the same	20190814
KR-20210020358-A	Organic compound, and organic light emitting diode and organic light emitting display device including the same	20190814
US-2021050527-A1	Organic compound, and organic light emitting diode and organic light emitting display device including the same	20190814
WO-2020249652-A1	Pyridyl or pyrimidyl mtor kinase inhibitors	20190613
CN-111233774-A	Amino pyrimidine compound	20181128

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GHS Hazard Statement:	H302 (90.91%): 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, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	89.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	315.76694
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	313.76899
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3