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CAS Number: 27398-50-1
6-bromo-2-phenylquinazolin-4(3H)-one

Structure

 6-bromo-2-phenylquinazolin-4(3H)-one
Name: 6-bromo-2-phenylquinazolin-4(3H)-one
Synonyms:
General Information
Product Number: 27398501

CAS Registry Number 27398-50-1
Name:
4(3H)?-?Quinazolinone, 6-?bromo-?2-?phenyl-
4(1H)-Quinazolinone, 6-bromo-2-phenyl- (9CI)
6-Bromo-2-phenylquinazolin-4(3H)-one

 

Chemical Formula: C14H9BrN2O
Exact Mass: 299.99
Molecular Weight: 301.14
m/z: 299.99 (100.0%), 301.99 (97.6%), 300.99 (15.9%), 302.99 (14.9%), 303.99 (1.3%), 302.00 (1.1%)

 

InChI:InChI=1S/C14H9BrN2O/c15-10-6-7-12-11(8-10)14(18)17-13(16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)

InChI Key:NXSZVAPNPHKIKA-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)C2=NC(=O)C3=C(N2)C=CC(=C3)Br

 

Thermal Properties Value Condition Note
Melting Point 303-305 °C Solv: isopropanol (67-63-0) (2)CAS
Melting Point 290-292 °C Solv: 1-butanol (71-36-3) (3)CAS
Melting Point 284-286 °C   (1)CAS
Melting Point 230 °C   (4)CAS
Melting Point 230 °C   (5)CAS
Melting Point 230 °C   (6)CAS

Specification

98%
References
  1. (1) Zhang, Xiaodong; Green Chemistry 2009, V11(11), P1881-1888 CAPLUS
  2. (2) Postovskii, I. Ya.; Khimiya Geterotsiklicheskikh Soedinenii 1970, (1), P100-2 CAPLUS
  3. (3) El-Nagady, S. I.; Egyptian Journal of Chemistry 2006, V49(6), P721-730 CAPLUS
  4. (4) Chandrika, P. Mani; European Journal of Medicinal Chemistry 2008, V43(4), P846-852 CAPLUS
  5. (5) Chandrika, P. Mani; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2009, V48B(6), P840-847 CAPLUS
  6. (6) Boyapati, Shireesha; Archiv der Pharmazie (Weinheim, Germany) 2010, V343(10), P570-576 CAPLUS
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