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CAS Number: 6943-17-5
6-nitroquinazolin-4(1H)-one

Structure

6-nitroquinazolin-4(1H)-one
Name: 6-nitroquinazolin-4(1H)-one
Synonyms:
General Information
Product Number: 6943175

CAS Registry Number 6943-17-5
Name:
4(3H)?-?Quinazolinone, 6-?nitro-
4(1H)-Quinazolinone, 6-nitro- (9CI)
6-Nitro-4(3H)-quinazolinone
6-Nitro-3,4-dihydroquinazolin-4-one
6-Nitro-3H-quinazolin-4-one
6-Nitro-4(1H)-quinazolinone

 

Chemical Formula: C8H5N3O3
Exact Mass: 191.03
Molecular Weight: 191.14
m/z: 191.03 (100.0%), 192.04 (8.8%), 192.03 (1.1%)

 

InChI:InChI=1S/C8H5N3O3/c12-8-6-3-5(11(13)14)1-2-7(6)9-4-10-8/h1-4H,(H,9,10,12)

InChI Key:MOBNCKURXDGQCB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N=CN2

 

Thermal Properties Value Condition Note
Melting Point 286-287 °C   (8)CAS
Melting Point 286 °C Solv: methanol (67-56-1) (9)CAS
Melting Point 283-285 °C   (3)CAS
Melting Point 283-285 °C Solv: water (7732-18-5) (4)CAS
Melting Point 281 °C   (7)CAS
Melting Point 276-277 °C   (6)CAS
Melting Point 275-276 °C Solv: ethanol (64-17-5) (10)CAS
Melting Point 275 °C Solv: pyridine (110-86-1) (11)CAS

Specification

98%

References
  1. (3) Rachid, Zakaria; Journal of Medicinal Chemistry 2003, V46(20), P4313-4321 CAPLUS
  2. (4) Domarkas, Juozas; Journal of Medicinal Chemistry 2006, V49(12), P3544-3552 CAPLUS
  3. (6) Fernandes, Celia; Bioorganic & Medicinal Chemistry 2007, V15(12), P3974-3980 CAPLUS
  4. (7) Oerfi, Laszlo; Current Medicinal Chemistry 2004, V11(19), P2549-2553 CAPLUS
  5. (8) Bogert, Marston Taylor; Journal of the American Chemical Society 1919, V41, P2052-68 CAPLUS
  6. (9) Tsuda, Kyosuke; Yakugaku Zasshi 1942, V62, P69-77 CAPLUS
  7. (10) Wang, Bin; Chinese Chemical Letters 2011, V22(8), P951-953 CAPLUS
  8. (11) Magidson, O. Yu.; Zhurnal Obshchei Khimii 1938, V8, P1797-1809(in English, 1809) CAPLUS
  9. (12) Kikelj, D.; Science of Synthesis 2004, V16, P573-749 CAPLUS
  10. (13) Hynes, John B.; Journal of Medicinal Chemistry 1989, V32(4), P852-6 CAPLUS
  11. (14) Maillard, Jacques; US 3047462 1962 CAPLUS
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