Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 7   > 7-CYANOINDOLE
96631-87-7 structure

7-CYANOINDOLE

Iupac Name:4,7-dibromo-1H-indole
CAS No.:96631-87-7
Molecular Weight:142.15734
Molecular Formula:C9H6N2 (isomer)
Names and Identifiers
Synonyms

1H-Indole-7-carbonitrile 7-CHOROINDOLE-3-CARBOXALDEHYDE 7-Cyano-1H-indole 96631-87-7

Inchi
InChI=1S/C8H5Br2N/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
InChkey
LGHKXNCCGYOQRK-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C2C(=C1Br)C=CN2)Br
Properties
Density
2.048
Boiling Point
368.956°C at 760 mmHg
Vapour
0mmHg at 25°C
Refractive Index
1.736
Flash Point
176.939°C
HS Code
2933990090
Safety and Handling
Hazard Codes
Xn
Risk Statements
20/21/22-22
Safety Statements
22-36/37/39
Transport
3439
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
Computational chemical data
  • Molecular Weight:142.15734g/mol
  • Molecular Formula:C9H6N2
  • Compound Is Canonicalized:True
  • Exact Mass:274.877
  • Monoisotopic Mass:272.879
  • Complexity:151
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:15.8A^2
  • Heavy Atom Count:11
  • 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: AAADcYByAAAAGAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHABQAAABrAjBHgQ8wPLJkACg AzRnRACCgCAxAiQI2aA4ZLgIIOLAkJGEIAhgkADIyhcQgIAOAAAEEAECgAgAAAggAgUAEAAAAAAA AA==
Recommended Suppliers
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:+1-(435)-753-1901
  • Fax:+1-(435)-753-6731
  • Tel:86-0515-88359955
  • Fax:86-515-88420066
  • Tel:86-021-64531437
  • Fax:86-021-54291107
Recommended Suppliers
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:+1-(435)-753-1901
  • Fax:+1-(435)-753-6731
  • Tel:86-0515-88359955
  • Fax:86-515-88420066
  • Tel:86-021-64531437
  • Fax:86-021-54291107
 
<