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CAS No.: | 5055-20-9 |
---|---|
Name: | Nifurquinazol |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C16H16 N4 O5 |
Molecular Weight: | 344.327 |
Synonyms: | Ethanol,2,2'-[[2-(5-nitro-2-furyl)-4-quinazolinyl]imino]di- (7CI,8CI);2,2'-[[2-(5-Nitro-2-furyl)-4-quinazolinyl]imino]diethanol;4-[Bis(2-hydroxyethyl)amino]-2-(5-nitro-2-furyl)quinazoline; NF 1088; NSC220589; Nifurquinazol; Nifurquinazole |
Density: | 1.459g/cm3 |
Melting Point: | 167.5°C |
Boiling Point: | 487°Cat760mmHg |
Flash Point: | 248.3°C |
Safety: | Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx. |
PSA: | 128.44000 |
LogP: | 2.11220 |
Product Name: Nifurquinazol (CAS NO.5055-20-9)
Molecular Formula: C16H16N4O5
Molecular Weight: 344.322g/mol
Mol File: 5055-20-9.mol
Boiling point: 487 °C at 760 mmHg
Flash Point: 248.3 °C
Density: 1.459 g/cm3
Surface Tension: 76.2 dyne/cm
Enthalpy of Vaporization: 79.29 kJ/mol
Vapour Pressure: 2.69E-10 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 8
Structure Descriptors of Nifurquinazol (CAS NO.5055-20-9):
IUPAC Name: 2-[2-Hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanol
Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)CCO
InChI: InChI=1S/C16H16N4O5/c21-9-7-19(8-10-22)16-11-3-1-2-4-12(11)17-15(18-16)13-5-6-14(25-13)20(23)24/h1-6,21-22H,7-10H2
InChIKey: AUEOHSUMWXAPBX-UHFFFAOYSA-N
Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx.
Nifurquinazol , its CAS NO. is 5055-20-9, the synonyms are 2,2'-((2-(5-Nitro-2-furyl)-4-quinazolinyl)imino)diethanol ; 4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)quinazoline ; BRN 1092044 ; Ethanol, 2,2'-((2-(5-nitro-2-furanyl)-4-quinazolinyl)imino)bis- ; N-(2-(5-Nitro-2-furyl)-4-chinazolinyl)-2,2-iminodiethanol ; NF 1088 ; NSC 22058 ; Nifurquinazolum ; Quinazoline, 4-bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)- UNII-44E5RRL600 .