Product Name: 2,4-Dinitrothiophene (CAS NO.5347-12-6)
Molecular Formula: C4H2N2O4S
Molecular Weight: 174.14g/mol
Mol File: 5347-12-6.mol
Boiling point: 312.4 °C at 760 mmHg
Flash Point: 142.8 °C
Density: 1.697 g/cm3
Surface Tension: 74.4 dyne/cm
Enthalpy of Vaporization: 53.14 kJ/mol
Vapour Pressure: 0.000971 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of 2,4-Dinitrothiophene (CAS NO.5347-12-6):
IUPAC Name: 2,4-dinitrothiophene
Canonical SMILES: C1=C(SC=C1[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C4H2N2O4S/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H
InChIKey: RZKBGZBDWAUWMC-UHFFFAOYSA-N
1. | mmo-sat 50 µmol/L | MUREAV Mutation Research. 118 (1983),153. | ||
2. | mmo-klp 500 µmol/L | MUREAV Mutation Research. 118 (1983),153. | ||
3. | ipr-mus LDLo:1 mg/kg | HBTXAC Handbook of Toxicology, Volumes I-V. 5 (1959),171. | ||
4. | ivn-mus LD50:32 mg/kg | CBCCT* “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 6 (1954),143. | ||
5. | par-mus LDLo:40 mg/kg | CBCCT* “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 7 (1955),695. |
Poison by intraperitoneal, intravenous, and parenteral routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also NITRO COMPOUNDS.
2,4-Dinitrothiophene , its CAS NO. is 5347-12-6, the synonyms are 5-17-01-00315 (Beilstein Handbook Reference) ; AI3-18386 ; BRN 0156596 ; NSC 3746 ; Thiophene, 2,4-dinitro- .
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