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Home> Encyclopedia > Hot Product Listed 7   > 7H-Pyrrolo[2,3-d]pyrimidine,2-chloro-
335654-06-3 structure

7H-Pyrrolo[2,3-d]pyrimidine,2-chloro-

Iupac Name:2-chloro-7H-pyrrolo[2,3-d]pyrimidine
CAS No.:335654-06-3
Molecular Weight:153.569
Molecular Formula:C6H4ClN3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C6H4ClN3/c7-6-9-3-4-1-2-8-5(4)10-6/h1-3H,(H,8,9,10)
InChkey
HJOQGBBHVRYTDX-UHFFFAOYSA-N
Canonical Smiles
C1=CNC2=NC(=NC=C21)Cl
Properties
Density
1.531
Boiling Point
318.271 °C at 760 mmHg
Refractive Index
1.72
Flash Point
146.285 °C
HS Code
2933990090
Safety and Handling
Hazard Codes
Xi
Safety

Hazard Codes of 2-Chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS NO.335654-06-3):  IrritantXi
Hazard Note: Irritant

Specification

  2-Chloro-7H-pyrrolo[2,3-d]pyrimidine , its cas register number is 335654-06-3. It also can be called 7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro- .

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:153.569g/mol
  • Molecular Formula:C6H4ClN3
  • Compound Is Canonicalized:True
  • Exact Mass:153.009
  • Monoisotopic Mass:153.009
  • Complexity:130
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:10
  • 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: AAADcYBjAAAEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHAIQAAAADADBGwQ9sN7JkACg AjJnZACCgCmxAqAJ2aA4ZJiIKMBAycEEBAhIEALAQCAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-87396431
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  • Fax:86-21-61294103
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