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Merck
CN

716774

(2S,5S)-1-(((2S,5S)-2,5-Dimethylpyrrolidin-1-yl)methylene)-2,5-dimethylpyrrolidinium tetrafluoroborate

97%

Synonym(s):

Bis[(2S,5S)-dimethyl-1-pyrrolidinyl]methylium tetrafluoroborate

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About This Item

Empirical Formula (Hill Notation):
C13H25BF4N2
Molecular Weight:
296.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
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InChI

1S/C33H33N2.BF4/c1-5-13-26(14-6-1)30-21-22-31(27-15-7-2-8-16-27)34(30)25-35-32(28-17-9-3-10-18-28)23-24-33(35)29-19-11-4-12-20-29;2-1(3,4)5/h1-20,25,30-33H,21-24H2;/q+1;-1/t30-,31-,32-,33-;/m1./s1

SMILES string

F[B-](F)(F)F.C1C[C@@H](N(\C=[N+]2/[C@H](CC[C@@H]2c3ccccc3)c4ccccc4)[C@H]1c5ccccc5)c6ccccc6

InChI key

RKLHUHRTFDXZEQ-ZNOPIPGTSA-N

assay

97%

form

solid

optical activity

[α]22/D −67.0°, c = 0.5 in chloroform

mp

112-118 °C

Legal Information

Sold under license from Kanata Chemical Technologies Inc. for research purposes only.

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Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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