DIHYDROXYMETHYLFURATRIZINE

Product Name: Dihydroxymethylfuratrizine (CAS NO.794-93-4)

Molecular Formula: C₁₁H₁₁N₅O₅
Molecular Weight: 293.27g/mol
Mol File: 794-93-4.mol
Boiling point: 544 °C at 760 mmHg
Storage Temperature:
Flash Point: 282.8 °C
Density: 1.629 g/cm³
Surface Tension: 100.2 dyne/cm
Enthalpy of Vaporization: 86.56 kJ/mol
Vapour Pressure: 1.14E-12 mmHg at 25°C
XLogP3-AA: 0
H-Bond Donor: 2
H-Bond Acceptor: 9
IUPAC Name: [hydroxymethyl-[6-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,
4-triazin-3-yl]amino]methanol
Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=CC2=CN=C(N=N2)N(CO)CO
Isomeric SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C\C2=CN=C(N=N2)N(CO)CO
InChI: InChI=1S/C11H11N5O5/c17-6-15(7-18)11-12-5-8(13-14-11)1-2-9-3-4-10(21-9)
16(19)20/h1-5,17-18H,6-7H2/b2-1- 
InChIKey: RQWQIVXLPCFXCO-UPHRSURJSA-N

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 24 (1980),p. 77.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Adequate Data IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 24 (1980),p. 77.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Suspected carcinogen with experimental carcinogenic and tumorigenic data. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. Mutation data reported. An antibacterial agent. When heated to decomposition it emits toxic fumes of NO_x.

 Dihydroxymethylfuratrizine ,its CAS NO. is 794-93-4,the synonyms is  ((6-(2-(5-Nitro-2-furyl)vinyl)-as-triazin-3-yl)imino)dimethanol ; 1,2,4-Triazine, 3-di(hydroxymethyl)amino-6-(5-nitro-2-furylethenyl)- ; 3-Bis(hydroxymethyl)amino-6-(5-nitro-2-furylethenyl)-1,2,4-triazine ; 3-Di(hydroxymethyl)amino-6-(2-(5-nitro-2-furyl)vinyl)-1,2,4-triazine ; 6-(5-Nitro-2-furylvinyl)-3-(dihydroxydimethylamino)-1,2,4-triazene ; BRN 0898525 ; Bis(hydroxymethyl)furatrizine ; CCRIS 1450 ; Di(hydroxymethyl) panfuran ; Furatone ; Methanol, ((6-(2-(5-nitro-2-furanyl)ethenyl)-1,2,4-triazin-3-yl)imino)bis- ; N-(6-(2-(5-Nitro-2-furyl)vinyl)-1,2,4-triazin-3-yl)iminodimethanol ; N-(6-(5-Nitrofurfurylidenemethyl)-1,2,4-triazin-3-yl)iminodimethanol ; NSC 529313 ; Panfuran-S .