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Cas Database |
| Name |
7-Oxabicyclo(4.1.0)hepta-2,4-diene |
EINECS | N/A |
| CAS No. | 1488-25-1 | Density | 1.136g/cm3 |
| PSA | 12.53000 | LogP | 0.87980 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H6 O | Boiling Point | 141.9°C at 760 mmHg |
| Molecular Weight | 94.113 | Flash Point | 29.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3-Cyclohexadiene,5,6-epoxy- (7CI); Benzene oxide; Dihydroepoxybenzene |
Article Data | 1 |
7-Oxabicyclo(4.1.0)hepta-2,4-diene Chemical Properties
Molecule structure of 7-Oxabicyclo(4.1.0)hepta-2,4-diene (CAS NO.1488-25-1) :
IUPAC Name: 7-oxabicyclo[4.1.0]hepta-2,4-diene
Molecular Weight: 94.11124 g/mol
Molecular Formula: C6H6O
Density: 1.136 g/cm3
Boiling Point: 141.9 °C at 760 mmHg
Flash Point: 29.3 °C
Molar Volume: 82.8 cm3
Polarizability: 10.51*10-24 cm3
Surface Tension: 46.5 dyne/cm
Enthalpy of Vaporization: 36.35 kJ/mol
Vapour Pressure: 7.17 mmHg at 25 °C
XLogP3-AA: 0.9
H-Bond Acceptor: 1
Exact Mass: 94.041865
MonoIsotopic Mass: 94.041865
Topological Polar Surface Area: 12.5
Heavy Atom Count: 7
Complexity: 119
Canonical SMILES: C1=CC2C(O2)C=C1
InChI: InChI=1S/C6H6O/c1-2-4-6-5(3-1)7-6/h1-6H
InChIKey: WDFZWSZNOFELJY-UHFFFAOYSA-N
7-Oxabicyclo(4.1.0)hepta-2,4-diene Toxicity Data With Reference
| 1. | mic-sat 20 mmol/L | PAACA3 Proceedings of the American Association for Cancer Research. 21 (1980),107. | ||
| 2. | ipr-mus TDLo:70 mg/kg/15D-I:CAR | CRNGDP Carcinogenesis. 11 (1990),1473. |
7-Oxabicyclo(4.1.0)hepta-2,4-diene Safety Profile
Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
7-Oxabicyclo(4.1.0)hepta-2,4-diene Specification
7-Oxabicyclo(4.1.0)hepta-2,4-diene (CAS NO.1488-25-1) is also called Benzene oxide ; 2,3-[1,3]Butadienooxirane ; 5,6-Epoxy-1,3-cyclohexadiene ; Dihydroepoxybenzene .
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