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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purine-6-thione,9-butyl-1,9-dihydro-
58775-05-6 structure

6H-Purine-6-thione,9-butyl-1,9-dihydro-

Iupac Name:2,7-ditert-butyl-9H-fluorene
CAS No.:58775-05-6
Molecular Weight:278.439
Molecular Formula:C15H12N2O2 (isomer)
Properties
Density
1.3
Melting Point
121-124℃
Boiling Point
459.4°C at 760 mmHg
Refractive Index
1.556
HS Code
2902909090
Safety and Handling
Safety

Poison by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also MERCAPTANS.

Toxicity
1.    

ipr-rat LDLo:300 mg/kg

    CPCHAO    Clinical Proceedings of the Children’s Hospital of the District of Columbia. 18 (1962),307.
2.    

ipr-mus LD50:270 mg/kg

    NCISP*    National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program, Bethesda, MD 20205 JAN86 .
Specification

 9-Butyl-6-mercaptopurine (CAS NO.6165-01-1) is also called as 9-(n-Butyl)-6-mercaptopurine ; 9-Butyl mercaptopurine ; 9-Butyl-1,9-dihydro-6H-purine-6-thione ; 9-Butyl-6-MP ; 9-Butyl-6MP ; 9-Butyl-9H-purine-6-thiol ; AI3-50239 ; BuMP ; NSC 19488 ; SRI 753 ; 6H-Purine-6-thione, 9-butyl-1,9-dihydro- (9CI) ; 9H-Purine-6-thiol, 9-butyl- .

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

Computational chemical data
  • Molecular Weight:278.439g/mol
  • Molecular Formula:C15H12N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:278.203
  • Monoisotopic Mass:278.203
  • Complexity:331
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:21
  • 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: AAADceB4AAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAGAAAAAAADgCAGAAyAIAAAACA AiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAPwAACAAAQAACAAAQAACAAAQAACAAA AA==
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