(9H-Fluoren-9-YL)methyl 2,4-dichloro-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate

Base Information

• Chemical Name: (9H-Fluoren-9-YL)methyl 2,4-dichloro-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate
• CAS No.: 903129-86-2
• Molecular Formula: C21H15Cl2N3O2
• Molecular Weight: 412.27
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50590486
• Wikidata: Q72478834
• Mol file: 903129-86-2.mol

Synonyms:903129-86-2;(9H-FLUOREN-9-YL)METHYL 2,4-DICHLORO-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE;9H-fluoren-9-ylmethyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate;SCHEMBL4910028;DTXSID50590486;KDHGOSCKKDVTGX-UHFFFAOYSA-N;AKOS015850443;DB-078637;A843498;3-[4-[(4-METHYLPHENYL)THIO]-3-NITROPHENYL]ACRYLICACID;(9H-Fluoren-9-yl)methyl 2,4-dichloro-5H-pyrrolo-[3,4-d]-pyrimidine-6(7H)-carboxylate;(9H-Fluoren-9-yl)methyl 2,4-dichloro-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

Chemical Property of (9H-Fluoren-9-YL)methyl 2,4-dichloro-5H-pyrrolo[3,4-D]pyrimidine-6(7H)-carboxylate

Chemical Property:

• Vapor Pressure: 1.23E-14mmHg at 25°C
• Refractive Index: 1.676
• Boiling Point: 606.1 °C at 760 mmHg
• PKA: -2.32±0.20(Predicted)
• Flash Point: 320.3 °C
• PSA: 55.32000
• Density: 1.462 g/cm³
• LogP: 4.98600
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 411.0541321
• Heavy Atom Count: 28
• Complexity: 572

Purity/Quality:

98%min ^*data from raw suppliers

(9H-Fluoren-9-yl)methyl2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N=C(N=C2Cl)Cl