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86539-71-1

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Basic Information
CAS No.: 86539-71-1
Name: 7-methoxy-1-methyl-2-nitronaphtho(2,1-b)furan
Molecular Structure:
Molecular Structure of 86539-71-1 (7-methoxy-1-methyl-2-nitronaphtho(2,1-b)furan)
Formula: C14H11NO4
Molecular Weight: 257.246
Synonyms: 7-METHOXY-1-METHYL-2-NITRONAPHTHO[2,1-B]FURAN;1-Methyl-2-nitro-7-methoxynaphtho(2,1-b)furan;NAPHTHO(2,1-b)FURAN,7-METHOXY-1-METHYL-2-NITRO;R 7372;
Density: 1.335g/cm3
Boiling Point: 431.8°Cat760mmHg
Flash Point: 214.9°C
Safety: Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 68.19000
LogP: 4.33440
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  • 7-methoxy-1-methyl-2-nitrobenzo[e][1]benzofuran

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    7-methoxy-1-methyl-2-nitrobenzo[e][1]benzofuran

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Chemistry

Molecule structure of 7-Methoxy-1-methyl-2-nitronaphtho(2,1-b)furan (CAS NO.86539-71-1) :

IUPAC Name: 7-methoxy-1-methyl-2-nitrobenzo[e][1]benzofuran 
Molecular Weight: 257.24144 g/mol
Molecular Formula: C14H11NO4
Density: 1.335 g/cm3 
Boiling Point: 431.8 °C at 760 mmHg 
Flash Point: 214.9 °C
Molar Volume: 192.5 cm3
Polarizability: 28.65*10-24 cm3
Surface Tension: 52.6 dyne/cm 
Enthalpy of Vaporization: 66.09 kJ/mol
Vapour Pressure: 2.95E-07 mmHg at 25 °C 
XLogP3-AA: 4.1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 257.068808
MonoIsotopic Mass: 257.068808
Topological Polar Surface Area: 65.5
Heavy Atom Count: 19
Complexity: 356
Canonical SMILES: CC1=C(OC2=C1C3=C(C=C2)C=C(C=C3)OC)[N+](=O)[O-]
InChI: InChI=1S/C14H11NO4/c1-8-13-11-5-4-10(18-2)7-9(11)3-6-12(13)19-14(8)15(16)17/h3-7H,1-2H3
InChIKey of 7-Methoxy-1-methyl-2-nitronaphtho(2,1-b)furan (CAS NO.86539-71-1) : CRJXXSSTSDKPEJ-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 1 nmol/plate

     MUTAEX    Mutagenesis. 1 (1986),217.
2.    

oth-esc 1 nmol/tube

     MUTAEX    Mutagenesis. 1 (1986),217.
3.    

msc-ham:ovr 1 µmol/L

     MUTAEX    Mutagenesis. 1 (1986),217.

Safety Profile

Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 7-Methoxy-1-methyl-2-nitronaphtho(2,1-b)furan (CAS NO.86539-71-1) is also called 7-Methoxy-1-methyl-2-nitro-naphthofuran .