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Basic Information
CAS No.: 30335-72-9
Name: Benzofuran,5-methoxy-2-nitro-
Article Data: 13
Molecular Structure:
Molecular Structure of 30335-72-9 (Benzofuran,5-methoxy-2-nitro-)
Formula: C9H7 N O4
Molecular Weight: 193.159
Synonyms: 2-Nitro-5-methoxybenzofuran;5-Methoxy-2-nitrobenzofuran; NSC 170707; R 5255
Density: 1.358g/cm3
Boiling Point: 315.7°Cat760mmHg
Flash Point: 144.7°C
Safety: Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 68.19000
LogP: 2.87280
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Chemistry

IUPAC Name: 5-Methoxy-2-nitro-1-benzofuran
Following is the structure of 5-Methoxy-2-nitrobenzofuran (CAS NO.30335-72-9):
                          
Empirical Formula: C9H7NO4
Molecular Weight: 193.1562 g/mol
Surface Tension: 49.5 dyne/cm
Density: 1.358 g/cm3
Flash Point: 144.7 °C
Enthalpy of Vaporization: 53.48 kJ/mol
Boiling Point: 315.7 °C at 760 mmHg
Vapour Pressure: 0.000795 mmHg at 25 °C
Index of Refraction of 5-Methoxy-2-nitrobenzofuran (CAS NO.30335-72-9): 1.614
Canonical SMILES: COC1=CC2=C(C=C1)OC(=C2)[N+](=O)[O-]
InChI: InChI=1S/C9H7NO4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3
InChIKey: MQJDCMRJYZIXBB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mnt-ham:lng 500 µg/L

     CNREA8    Cancer Research. 44 (1984),1969.
2.    

sce-ham:lng 500 µg/L

     CNREA8    Cancer Research. 44 (1984),1969.

Safety Profile

 Mutation data reported. When heated to decomposition, 5-Methoxy-2-nitrobenzofuran (CAS NO.30335-72-9) emits toxic fumes of NOx.

Specification

 5-Methoxy-2-nitrobenzofuran , its cas register number is 30335-72-9. It also can be called 2-Nitro-5-methoxybenzofuran ; and Benzofuran, 5-methoxy-2-nitro- . Its classification code is Mutation data.