2-Bromo-4,6-diphenyl-1,3,5-triazine - CAS 80984-79-8

Catalog:	BB036597
Product Name:	2-Bromo-4,6-diphenyl-1,3,5-triazine
CAS:	80984-79-8
Synonyms:	2-bromo-4,6-diphenyl-1,3,5-triazine; 2-bromo-4,6-diphenyl-1,3,5-triazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4,6-diphenyl-1,3,5-triazine
Description:	2-Bromo-4,6-diphenyl-1,3,5-triazine (CAS# 80984-79-8) is a useful research chemical.
Molecular Weight:	312.16
Molecular Formula:	C15H10BrN3
Canonical SMILES:	C1=CC=C(C=C1)C2=NC(=NC(=N2)Br)C3=CC=CC=C3
InChI:	InChI=1S/C15H10BrN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10H
InChI Key:	PTPGZCQGDXUUAH-UHFFFAOYSA-N
Boiling Point:	498.3 °C at 760 mmHg
Density:	1.446 g/cm³
LogP:	3.96810

Publication Number	Title	Priority Date
CN-113321659-A	Organic electroluminescent material and device thereof	20210527
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CN-111640877-A	Organic electroluminescent element	20200609

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Related Functional Groups

Triazines

[1919-48-8]
2,4,6-Triphenoxy-1,3,5-triazine
[4956-05-2]
6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione
[35045-02-4]
Metribuzin-desamino
[52236-30-3]
Metribuzin-desamino-diketo
[56507-37-0]
Metribuzin-diketo
[30360-19-1]
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	311.00581
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	311.00581
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3