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Home> Encyclopedia > Hot Product Listed 7   > 7-Nitroindole
6960-42-5 structure

7-Nitroindole

Iupac Name:7-nitro-1H-indole
CAS No.:6960-42-5
Molecular Weight:162.148
Molecular Formula:C8H6N2O2 (isomer)
Properties
Appearance
yellow crystalline powder
Density
1.425
Melting Point
95-98℃
Boiling Point
362.6 oC at 760 mmHg
Refractive Index
1.723
Flash Point
173.1 oC
Solubility
Water Solubility:slightly soluble
HS Code
2933990090
Safety and Handling
Hazard Codes
Xn
Risk Statements
R68
Safety Statements
S36/37;S45
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H341 Suspected of causing genetic defects

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:162.148g/mol
  • Molecular Formula:C8H6N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.6
  • Exact Mass:162.043
  • Monoisotopic Mass:162.043
  • Complexity:190
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:61.6A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAAUAAAADAjBHgQ8wPLZ0ACh AzRnRwCCgCAxEiAo2aA4dJoIYOLAkZGUIAhgkIDIyAcQgIAOAAAAQAACACAAAACAAAQAQAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
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