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CAS Number: 176961-53-8
2-(4-bromophenyl)-1H-imidazole

Structure

2-(4-bromophenyl)-1H-imidazole
Name: 2-(4-bromophenyl)-1H-imidazole
Synonyms:
General Information
Product Number: 176961538

CAS Registry Number 176961-53-8
Name:
1H-​Imidazole, 2-​(4-​bromophenyl)​-
2-(4-Bromophenyl)-1H-imidazole

 

Chemical Formula: C9H7BrN2
Exact Mass: 221.98
Molecular Weight: 223.07
m/z: 221.98 (100.0%), 223.98 (97.4%), 222.98 (10.5%), 224.98 (9.6%)

 

InChI:InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,(H,11,12)

InChI Key:IRIGPPDONXVEHU-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C2=NC=CN2)Br

 

Thermal Properties Value Condition Note
Melting Point >250 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 247-249 °C   (1)CAS
Melting Point 177-177.5 °C   (2)CAS
Melting Point 155-156 °C   (1)CAS

Specification

98%

References

(1) Haneda, Satoshi; Tetrahedron 2007, V63(11), P2414-2417 CAPLUS
(2) Takahashi, Shogo; Heterocycles 2008, V76(1), P507-514 CAPLUS
(4) Sharma, Deepika; European Journal of Medicinal Chemistry 2009, V44(6), P2347-2353 CAPLUS

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