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CAS Number: 32618-85-2
6-nitroquinazoline-2,4(1H,3H)-dione

Structure

6-nitroquinazoline-2,4(1H,3H)-dione
Name: 6-nitroquinazoline-2,4(1H,3H)-dione
Synonyms:
General Information
Product Number: 32618852

CAS Registry Number 32618-85-2
Name:
2,?4(1H,?3H)?-?Quinazolinedione, 6-?nitro-
6-Nitro-2,4(1H,3H)-quinazolinedione
6-Nitro-2,4-quinazolinediol
6-Nitro-2,4-quinazolinedione
6-Nitrobenzoyleneurea

 

Chemical Formula: C8H5N3O4
Exact Mass: 207.03
Molecular Weight: 207.14
m/z: 207.03 (100.0%), 208.03 (10.0%), 209.03 (1.2%)

 

InChI:InChI=1S/C8H5N3O4/c12-7-5-3-4(11(14)15)1-2-6(5)9-8(13)10-7/h1-3H,(H2,9,10,12,13)

InChI Key:TWJZVXRMXVNSIE-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(=O)N2

 

Thermal Properties Value Condition Note
Melting Point 357-358 °C   (8)CAS
Melting Point 339-345 °C   (6)CAS
Melting Point 339-340 °C (decomp)   (8)CAS
Melting Point 330-331 °C (decomp) Solv: acetic acid, 50% (64-19-7) (9)CAS
Melting Point >300 °C   (7)CAS
Melting Point 295-297 °C   (3)CAS
Melting Point 295-297 °C   (5)CAS

Specification

98%

References
  1. (3) Patil, Yogesh P.; Catalysis Letters 2009, V133(1-2), P201-208 CAPLUS
  2. (5) Patil, Yogesh P.; Catalysis Today 2009, V148(3-4), P355-360 CAPLUS
  3. (6) Kayser-Bricker, Katherine J.; Bioorganic & Medicinal Chemistry 2009, V17(4), P1764-1771 CAPLUS
  4. (7) Nagai, Daisuke; Journal of Polymer Science, Part A: Polymer Chemistry 2009, V47(3), P653-657 CAPLUS
  5. (8) Huntress, Ernest H.; Journal of the American Chemical Society 1942, V64, P2644-9 CAPLUS
  6. (9) Bogert, Marston Taylor; Journal of the American Chemical Society 1919, V41, P2052-68 CAPLUS
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