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2435-76-9

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Basic Information
CAS No.: 2435-76-9
Name: 5-DIAZOURACIL
Molecular Structure:
Molecular Structure of 2435-76-9 (5-DIAZOURACIL)
Formula: C4H2 N4 O2
Molecular Weight: 138.085
Synonyms: Uracil,5-diazo- (6CI,7CI,8CI);5-Diazopyrimidine-2,4(3H)-dione;5-Diazouracil;Diazouracil;NSC 23519;
EINECS: 219-427-0
Density: g/cm3
Melting Point: 198°C (rough estimate)
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by subcutaneous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 95.92000
LogP: -1.17674
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Chemistry

Product Name: Diazouracil (CAS NO.2435-76-9)


Molecular Formula: C4H2N4O2
Molecular Weight: 138.08g/mol
Mol File: 2435-76-9.mol
Einecs: 219-427-0
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of Diazouracil (CAS NO.2435-76-9):
  IUPAC Name: 5-diazonio-6-oxo-1H-pyrimidin-2-olate
  Canonical SMILES: C1=C(C(=O)NC(=N1)[O-])[N+]#N
  InChI: InChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H-,6,7,9,10) 
  InChIKey: XFLJNCDBYCPPTE-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

dnd-sat 10 mg/L

     MILEDM    Microbios Letters. 1 (1976),169.
2.    

dnd-esc 10 mg/L

     MILEDM    Microbios Letters. 1 (1976),169.
3.    

dns-rat:lvr 50 µmol/L

     CALEDQ    Cancer Letters (Shannon, Ireland). 13 (1981),187.
4.    

ipr-mus LD50:30,800 µg/kg

     NCISP*    National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .
5.    

scu-mus LD10:22 mg/kg

     EJCAAH    European Journal of Cancer. 10 (1974),667.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by subcutaneous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Diazouracil ,its CAS NO. is 2435-76-9,the synonyms is (1,2,3)Oxadiazolo(5,4-d)pyrimidin-5(4H)-one ; 2,4-Diossi-5-diazopirimidina ; 2,6-Dioxo-5-diazopyrimidine ; 5-Diazo-2,4(1H,3H)-pyrimidinedione ; 5-Diazopyrimidine-2,4(3H)-dione ; 5-Diazouracil ; AI3-50857 ; CCRIS 6839 ; EINECS 219-427-0 ; NSC 23519 ; Uracil, 5-diazo- ; 2,4(3H,5H)-Pyrimidinedione, 5-diazo- .