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548030

3-Bromo-4-methylpyridine

96%

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About This Item

Empirical Formula (Hill Notation):
C6H6BrN
CAS Number:
3430-22-6
Molecular Weight:
172.02
NACRES:
NA.22
PubChem Substance ID:
24879007
UNSPSC Code:
12352100
MDL number:
MFCD00082592
Assay:
96%
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assay

96%

refractive index

n20/D 1.56 (lit.)

bp

199-200 °C (lit.)

density

1.549 g/mL at 25 °C (lit.)

functional group

bromo

SMILES string

Cc1ccncc1Br

InChI

1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3

InChI key

GSQZOLXWFQQJHJ-UHFFFAOYSA-N

Application

3-Bromo-4-methylpyridine may be used as a building block in the preparation of:
  • substituted 4-(2,2-diphenylethyl)pyridine-N-oxides for use as potent phosphodiesterase type 4 (PDE4) inhibitors
  • benzodiazepine site ligands bearing tricyclic pyridone moiety for human GABAA receptor
  • a novel isomer of ascididemin
  • 3-bromopyridine-4-carbonitrile

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

174.9 °F - closed cup

flash_point_c

79.4 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCB3429
BCBT1604
BCBR8196V
BCBN2632V
BCBH3162V

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Richard Frenette et al.
Bioorganic & medicinal chemistry letters, 12(20), 3009-3013 (2002-09-25)
A detailed SAR study directed toward the optimization of pharmacokinetic parameters for analogues of L-791,943 is reported. The introduction of a soft metabolic site on this structure permitted the identification of L-826,141 as a potent phosphodiesterase type 4 (PDE4) inhibitor
James Crawforth et al.
Bioorganic & medicinal chemistry letters, 14(7), 1679-1682 (2004-03-18)
A series of tricyclic pyridones has been evaluated as benzodiazepine site ligands with functional selectivity for the alpha(3) over the alpha(1) containing subtype of the human GABA(A) receptor ion channel. This investigation led to the identification of a high affinity
Condensed heteroaromatic ring systems. XV. Synthesis of pyranopyridinones from halopyridinecarbonitriles.
Sakamoto T, et al.
Chemical & Pharmaceutical Bulletin, 36(5), 1890-1894 (1988)
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Global Trade Item Number

SKUGTIN
548030-5G04061832574844
548030-1G04061837604980