2,4,6-Tris(trifluoromethyl)-1,3,5-triazine - CAS 368-66-1

Name: 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023118
Product Name:	2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
CAS:	368-66-1
Synonyms:	2,4,6-tris(trifluoromethyl)-1,3,5-triazine

Technical Data

IUPAC Name:	2,4,6-tris(trifluoromethyl)-1,3,5-triazine
Description:	2,4,6-Tris(trifluoromethyl)-1,3,5-triazine (CAS# 368-66-1) is a useful research chemical compound.
Molecular Weight:	285.07
Molecular Formula:	C6F9N3
Canonical SMILES:	C1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI:	InChI=1S/C6F9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15
InChI Key:	LSGBKABSSSIRJF-UHFFFAOYSA-N
Boiling Point:	98.3-98.5 °C (748 mmHg)
Melting Point:	-25 °C
Purity:	95 %
Density:	1.596 g/cm³
Appearance:	Clear colourless liquid
Storage:	2-8 °C
MDL:	MFCD00042436
LogP:	2.92800

GHS Hazard Statement:	H302 (79.17%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (79.17%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H332 (87.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113224386-A	Cobalt acid lithium battery electrolyte additive, electrolyte and battery thereof	20210430
CN-113161610-A	Non-aqueous electrolyte for lithium ion battery and lithium ion battery comprising same	20210331
CN-113161612-A	Non-aqueous electrolyte for lithium ion battery and lithium ion battery comprising same	20210331
JP-2021113174-A	A metal complex, a catalyst component for olefin polymerization containing the metal complex, a catalyst for olefin polymerization, and a method for producing an olefin polymer and a copolymer using the metal complex.	20200120
US-2021218061-A1	Electrolytes for lithium-containing battery cells	20200109

PMID	Publication Date	Title	Journal
21567499	20110620	Reaction of 1,3-bis(trimethylsilyloxy)-1,3-butadienes with 2,4,6-tris(trifluoromethyl)-1,3,5-triazine: planning and serendipity	Chemistry (Weinheim an der Bergstrasse, Germany)
19053577	20090102	Electronic and steric effects on the mechanism of the inverse electron demand Diels-Alder reaction of 2-aminopyrroles with 1,3,5-triazines: identification of five intermediates by 1H, 13C, 15N, and 19F NMR spectroscopy	The Journal of organic chemistry

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.99485047
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	12
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	284.99485047
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7