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CAS Number: 89972-76-9
4'-(4-bromophenyl)-2,2':6',2''-terpyridine

Structure

4'-(4-bromophenyl)-2,2':6',2''-terpyridine
Name: 4'-(4-bromophenyl)-2,2':6',2''-terpyridine
Synonyms:
General Information
Product Number: 89972769
CAS Registry Number:
89972-76-9
Name:
2,2':6',2''-Terpyridine, 4'-(4-bromophenyl)-
4'-(4-Bromophenyl)-2,2':6',2''-terpyridine; 4'-p-Bromophenyl-2,2':6',2''-terpyridine 
 
Chemical Formula: C21H14BrN3
Exact Mass: 387.04
Molecular Weight: 388.26
m/z: 387.04 (100.0%), 389.04 (100.0%), 388.04 (22.9%), 390.04 (22.3%), 391.04 (2.7%), 388.03 (1.1%), 390.03 (1.1%)
Elemental Analysis: C, 64.96; H, 3.63; Br, 20.58; N, 10.82
 
InChI: InChI=1S/C21H14BrN3/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H
InChIKey: BOPPHKMZOYPASP-UHFFFAOYSA-N
Canonical SMILES : C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)Br
 
 
Thermal Properties Value Condition Note
Melting Point 157 °C Solv: ethanol (64-17-5) (10)CAS
Melting Point 154-156 °C   (13)CAS
Melting Point 143-145 °C   (9)CAS
Melting Point 143-145 °C Solv: ethanol (64-17-5) (8)CAS
Melting Point 125 °C Solv: chloroform (67-66-3); methanol (67-56-1) (6)CAS
Melting Point See full text   (3)CAS

Specification

98%

References
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  7. (7) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
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