2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine supplier

Name
2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-d]pyriMidine
EINECS
CAS No. 934524-10-4
Article Data33
CAS DataBase
Density 1.594 g/cm³
Solubility
Melting Point
Formula C₁₃H₉Cl₂N₃O₂S
Boiling Point 447.131 °C at 760 mmHg
Molecular Weight 342.205
Flash Point 224.217 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Dichloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine;
PSA 73.23000
LogP 4.36430

2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine Specification

The 2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine, with the CAS registry number 934524-10-4, is also known as 7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-7-[(4-methylphenyl)sulfonyl]-. This chemical's molecular formula is C₁₃H₉Cl₂N₃O₂S and molecular weight is 342.21. What's more, its systematic name is 2,4-Dichloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine.

Physical properties of 2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine are: (1)ACD/LogP: 3.676; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 366.40; (6)ACD/BCF (pH 7.4): 366.40; (7)ACD/KOC (pH 5.5): 2381.67; (8)ACD/KOC (pH 7.4): 2381.69; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 73.23 Å²; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 83.643 cm³; (15)Molar Volume: 214.649 cm³; (16)Polarizability: 33.159×10^-24cm³; (17)Surface Tension: 59.8 dyne/cm; (18)Density: 1.594 g/cm³; (19)Flash Point: 224.217 °C; (20)Enthalpy of Vaporization: 70.542 kJ/mol; (21)Boiling Point: 447.131 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)n2ccc3c2nc(nc3Cl)Cl
(2)Std. InChI: InChI=1S/C13H9Cl2N3O2S/c1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18/h2-7H,1H3
(3)Std. InChIKey: DTDGVNQSPAWHTH-UHFFFAOYSA-N

Product Name

2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-d]pyriMidine

2,4-Dichloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine Specification

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