2-Bromo-4,6-dimethylpyrimidine - CAS 16879-39-3

Catalog:	BB012493
Product Name:	2-Bromo-4,6-dimethylpyrimidine
CAS:	16879-39-3
Synonyms:	2-bromo-4,6-dimethylpyrimidine; 2-bromo-4,6-dimethylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4,6-dimethylpyrimidine
Description:	2-Bromo-4,6-dimethylpyrimidine (CAS# 16879-39-3) is a useful research chemical.
Molecular Weight:	187.04
Molecular Formula:	C6H7BrN2
Canonical SMILES:	CC1=CC(=NC(=N1)Br)C
InChI:	InChI=1S/C6H7BrN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
InChI Key:	OUOPRQQOGBFPHV-UHFFFAOYSA-N
Boiling Point:	279.9 °C at 760 mmHg
Density:	1.5 g/cm³
LogP:	1.85590

Publication Number	Title	Priority Date
CN-108003865-B	Organic light-emitting compound, preparation method thereof and organic electroluminescent device	20171204
CN-110249031-A	It is used in particular for the organic molecule of organic electro-optic device	20170207
EP-3580300-A2	Organic molecules, especially for use in organic optoelectronic devices	20170207
KR-20190116298-A	Organic molecules, especially organic molecules for use in organic optoelectronic devices	20170207
WO-2018145995-A2	Organic molecules, especially for use in organic optoelectronic devices	20170207

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.97926
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2