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

Name
4-chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine
EINECS 811-000-2
CAS No. 479633-63-1
Article Data26
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point 145.0 to 149.0 °C
Formula C₁₃H₁₀ClN₃O₂S
Boiling Point 505.3 °C at 760 mmHg
Molecular Weight 307.76
Flash Point 259.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Chloro-7-(4-methylphenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine;
PSA 73.23000
LogP 3.71090

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

This chemical is called 4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine, and its CAS registry number is 479633-63-1. With the molecular formula of C₁₃H₁₀ClN₃O₂S, its molecular weight is 307.76.

Other characteristics of the 4-Chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidine can be summarised as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.65; (6)ACD/BCF (pH 7.4): 39.65; (7)ACD/KOC (pH 5.5): 484.9; (8)ACD/KOC (pH 7.4): 484.9; (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: 1.696; (14)Molar Refractivity: 79.04 cm³; (15)Molar Volume: 205.3 cm³; (16)Polarizability: 31.33×10^-24cm³; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 259.4 °C; (20)Enthalpy of Vaporization: 77.5 kJ/mol; (21)Boiling Point: 505.3 °C at 760 mmHg; (22)Vapour Pressure: 2.46E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(cc1)S(=O)(=O)n2ccc3c2ncnc3Cl
2.InChI: InChI=1/C13H10ClN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17/h2-8H,1H3
3.InChIKey: BTOJSYRZQZOMOK-UHFFFAOYAZ

Product Name

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

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

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