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Home > Encyclopedia > 5-(2-Nitro-1-propen-1-yl)-1,3-benzodioxole

5-(2-Nitro-1-propen-1-yl)-1,3-benzodioxole

5-(2-Nitro-1-propen-1-yl)-1,3-benzodioxole structure

5-(2-Nitro-1-propen-1-yl)-1,3-benzodioxole 

structure
  • CAS No:

    5438-41-5

  • Formula:

    C10H9NO4

  • Chemical Name:

    5-(2-Nitro-1-propen-1-yl)-1,3-benzodioxole

  • Synonyms:

    1,3-Benzodioxole,5-(2-nitro-1-propen-1-yl)-;Benzene,1,2-(methylenedioxy)-4-(2-nitropropenyl)-;1,3-Benzodioxole,5-(2-nitro-1-propenyl)-;5-(2-Nitro-1-propen-1-yl)-1,3-benzodioxole;1-(2-Nitro-1-propenyl)-3,4-methylenedioxybenzene;1,2-Methylenedioxy-4-(2-nitropropenyl)benzene;3,4-Methylenedioxy-1-(2-nitropropenyl)benzene;β-Methyl-β-nitro-3,4-methylenedioxystyrene;2-Nitro-1-(3,4-methylenedioxyphenyl)-1-propene;NSC 16685;NSC 65667;Iksin;253140-68-0

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Yellow Solid

5-(2-Nitro-1-propen-1-yl)-1,3-benzodioxole Basic Attributes

207.18

207.18

65667|16685

2932999099

Characteristics

64.3

2.57600

1.343±0.06 g/cm3(Predicted)

98 °C @ Solvent: Ethanol

336.7ºC at 760mmHg

160.7ºC

1.62

Safety Information

R23/24/25

23-24/25

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

5-(2-nitro-1-propenyl)-1,3-benzodioxole

5-(2-Nitro-1-propen-1-yl)-1,3-benzodioxole Use and Manufacturing

A byproduct of 3,4-Methylenedioxy Methamphetamine (M303985). Inhibitor of the hepatic microsomal enxzyme function in mice.

Computed Properties

Molecular Weight:207.18
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:207.05315777
Monoisotopic Mass:207.05315777
Topological Polar Surface Area:64.3
Heavy Atom Count:15
Complexity:284
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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