Chemical Properties of 5-Methoxybenzofurazan, 1-oxide (CAS 7791-49-3)

InChI

InChI=1S/C7H6N2O3/c1-11-5-2-3-7-6(4-5)8-12-9(7)10/h2-4H,1H3

InChI Key

ABSKHUSUHODMEL-UHFFFAOYSA-N

Formula

C7H6N2O3

SMILES

COc1ccc2c(c1)no[n+]2[O-]

Molecular Weight¹

166.13

CAS

7791-49-3

Other Names

• 5-Methoxy-2,1,3-benzoxadiazole 1-oxide
• Benzofurazan, 5-methoxy-, 1-oxide
• 5-Methoxybenzofuran-1-oxide

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-3664.40 ± 3.20	kJ/mol	NIST
ΔfH°gas	148.30 ± 3.70	kJ/mol	NIST
ΔfH°solid	52.30 ± 3.30	kJ/mol	NIST
ΔsubH°	[96.00; 96.00]	kJ/mol
ΔsubH°	96.00 ± 1.60	kJ/mol	NIST
ΔsubH°	96.00 ± 1.60	kJ/mol	NIST
log10WS	-8.42		Crippen Calculated Property
logPoct/wat	0.470		Crippen Calculated Property
McVol	108.140	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 5-Methoxybenzofurazan, 1-oxide.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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