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Dihydroxymethylfuratrizine

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Name

Dihydroxymethylfuratrizine

EINECS N/A
CAS No. 794-93-4 Density 1.629g/cm3
PSA 141.33000 LogP 0.77240
Solubility N/A Melting Point N/A
Formula C11H11 N5 O5 Boiling Point 544°C at 760 mmHg
Molecular Weight 293.239 Flash Point 282.8°C
Transport Information N/A Appearance N/A
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. Risk Codes N/A
Molecular Structure Molecular Structure of 794-93-4 (DIHYDROXYMETHYLFURATRIZINE) Hazard Symbols N/A
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

Article Data 4

Dihydroxymethylfuratrizine Chemical Properties

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

Dihydroxymethylfuratrizine 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.

Dihydroxymethylfuratrizine 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) .

Dihydroxymethylfuratrizine 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.

Dihydroxymethylfuratrizine 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 .

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