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Merck
CN

197920

1-[2-(4-Bromophenoxy)ethyl]pyrrolidine

95%

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About This Item

Empirical Formula (Hill Notation):
C12H16BrNO
CAS Number:
1081-73-8
Molecular Weight:
270.17
NACRES:
NA.22
PubChem Substance ID:
24851851
UNSPSC Code:
12352100
EC Number:
214-100-9
MDL number:
MFCD00003180
Assay:
95%
Form:
liquid

Key Documents

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Product Name

1-[2-(4-Bromophenoxy)ethyl]pyrrolidine, 95%

InChI key

YDWKSSWZGXRQET-UHFFFAOYSA-N

InChI

1S/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2

SMILES string

Brc1ccc(OCCN2CCCC2)cc1

assay

95%

form

liquid

refractive index

n20/D 1.557 (lit.)

bp

138-140 °C/1.2 mmHg (lit.)

density

1.304 g/mL at 25 °C (lit.)

functional group

bromo

Application

1-[2-(4-Bromophenoxy)ethyl]pyrrolidine was used in the synthesis of 4-OCH2CH2 -pyrrolidine.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB6550V
MKBB6550
03917TH
09029JD
12625HR

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Chuansheng Niu et al.
Bioorganic & medicinal chemistry letters, 19(20), 5829-5832 (2009-09-19)
A series of 5-vinyl-3-pyridinecarbonitriles were synthesized and evaluated as PKCtheta inhibitors. The systematic optimization of 4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-phenylvinyl]-3-pyridinecarbonitrile 3 resulted in the identification of compound 23e as a potent PKCtheta inhibitor with good selectivity over PKCdelta.

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