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

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

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Description

Yellow Solid

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

Molecular Weight：

207.18

Exact Mass：

207.18

NSC Number：

65667|16685

HScode：

2932999099

Characteristics

PSA：

64.3

XLogP3：

2.57600

Density：

1.343±0.06 g/cm3(Predicted)

Melting Point：

98 °C @ Solvent: Ethanol

Boiling Point：

336.7ºC at 760mmHg

Flash Point：

160.7ºC

Refractive Index：

1.62

Safety Information

hazard class code：

R23/24/25

safety instructions：

23-24/25

GHS Classification：

|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

MeSH Entry Terms：

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

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

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

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