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794-93-4

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Basic Information
CAS No.: 794-93-4
Name: DIHYDROXYMETHYLFURATRIZINE
Article Data: 4
Molecular Structure:
Molecular Structure of 794-93-4 (DIHYDROXYMETHYLFURATRIZINE)
Formula: C11H11 N5 O5
Molecular Weight: 293.239
Synonyms: Methanol,[[6-[2-(5-nitro-2-furyl)vinyl]-as-triazin-3-yl]imino]di- (7CI,8CI); 3-[Bis(hydroxymethyl)amino]-6-(5-nitro-2-furylvinyl)-as-triazine;3-[Bis(hydroxymethyl)amino]-6-[2-(5-nitro-2-furyl)ethenyl]-1,2,4-triazine;3-[Bis(hydroxymethyl)amino]-6-[2-(5-nitro-2-furyl)vinyl]-1,2,4-triazine;3-[N-Bis(hydroxymethyl)amino]-6-[2-(5-nitro-2-furyl)vinyl]-1,2,4-triazine;Bis(hydroxymethyl)furatrizine; Dihydroxymethylfuratrizine; Furatone;Furatrizine, bis(hydroxymethyl)-;N-[6-[2-(5-Nitro-2-furyl)vinyl]-1,2,4-triazin3-yl]iminodimethanol; NSC 529313;Panfuran S
Density: 1.629g/cm3
Boiling Point: 544°C at 760 mmHg
Flash Point: 282.8°C
Safety: 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 NOx.
PSA: 141.33000
LogP: 0.77240
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Chemistry

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

Toxicity Data With Reference

1.    

mmo-esc 125 µg/L

     MUREAV    Mutation Research. 146 (1985),243.
2.    

pic-esc 800 µg/L

     MUREAV    Mutation Research. 146 (1985),243.
3.    

orl-mus LD50:2690 mg/kg

     PMDCAY    Progress in Medical Chemistry. 5 (1967),320.
4.    

ipr-mus LD50:1296 mg/kg

     PMDCAY    Progress in Medical Chemistry. 5 (1967),320.
5.    

scu-mus LD50:1602 mg/kg

     PMDCAY    Progress in Medical Chemistry. 5 (1967),320.

Consensus Reports

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) .

Safety Profile

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 NOx.

Specification

 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 .