Key Documents

708542

(5R,6S)-2-Mesityl-5,6-diphenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate

Name: (5R,6S)-2-Mesityl-5,6-diphenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate
Brand: ALDRICH

97%, solid

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About This Item

Empirical Formula (Hill Notation):

C₂₆H₂₆BF₄N₃O

CAS Number:

950842-71-4

Molecular Weight:

483.31

MDL number:

MFCD19443628

UNSPSC Code:

12352005

PubChem Substance ID:

329762806

NACRES:

NA.22

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Properties

Product Name

(5R,6S)-2-Mesityl-5,6-diphenyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate, 97%

Quality Segment

100

assay

97%

form

solid

mp

187-193 °C

SMILES string

F[B-](F)(F)F.Cc1cc(C)c(c(C)c1)-[n+]2cn3[C@@H]([C@@H](OCc3n2)c4ccccc4)c5ccccc5

InChI

1S/C26H26N3O.BF4/c1-18-14-19(2)24(20(3)15-18)29-17-28-23(27-29)16-30-26(22-12-8-5-9-13-22)25(28)21-10-6-4-7-11-21;2-1(3,4)5/h4-15,17,25-26H,16H2,1-3H3;/q+1;-1/t25-,26+;/m1./s1

InChI key

OBABAEBTRZTTCY-QGLFPKSOSA-N

Description

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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