Molecular Structure of (4-Nitrophenoxy)oxirane (CAS NO. 59485-08-4):
IUPAC Name: 2-(4-Nitrophenoxy)oxirane
Molecular Formula: C8H7NO4
Molecular Weight: 181.145480 g/mol
XLogP3-AA: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 4
Canonical SMILES: C1C(O1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI: InChI=1S/C8H7NO4/c10-9(11)6-1-3-7(4-2-6)13-8-5-12-8/h1-4,8H,5H2
InChIKey: LCDJFVGAKJGCGB-UHFFFAOYSA-N
Index of Refraction: 1.612
Molar Refractivity: 43.67 cm3
Molar Volume: 125.6 cm3
Surface Tension: 61.2 dyne/cm
Density: 1.442 g/cm3
Flash Point: 180.8 °C
Enthalpy of Vaporization: 56.32 kJ/mol
Boiling Point: 342.7 °C at 760 mmHg
Vapour Pressure: 0.000147 mmHg at 25 °C
Water Solubility of (4-Nitrophenoxy)oxirane (CAS NO. 59485-08-4): 1295 mg/L at 25 °C
1. | mic-sat 3 µLg/plate | CRNGDP Carcinogenesis. 18 (1997),431. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
(4-Nitrophenoxy)oxirane with cas registry number of 59485-08-4 is also called for 2'-(4-Nitrophenoxy)oxirane ; CCRIS 8088 ; Oxirane, (4-nitrophenoxy)- .
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