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Basic Information
CAS No.: 912569-53-0
Name: 4-Pyrimidin-2-ylbenzenesulphonyl chloride
Molecular Structure:
Molecular Structure of 912569-53-0 (4-Pyrimidin-2-ylbenzenesulphonyl chloride)
Formula: C10H7ClN2O2S
Molecular Weight: 254.69
Synonyms: 4-Pyrimidin-2-ylbenzenesulphonyl chloride;4-pyrimidin-2-ylbenzenesulfonyl chloride;4-Pyrimidin-2-ylbenzenesulphonyl chloride 97%;2-[(4-Chlorosulphonyl)phenyl]pyrimidine;2-[(4-Chlorosulphonyl)phenyl]pyrimidine, 2-[(4-Chlorosulphonyl)phenyl]-1,3-diazine
Density: 1.432 g/cm3
Melting Point: 159.5-161.5 °C
Boiling Point: 310.7 °C at 760 mmHg
Flash Point: 141.7 °C
Hazard Symbols: C
Risk Codes: 36
Safety: 26
PSA: 68.30000
LogP: 3.15190
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Specification

This chemical is called 4-Pyrimidin-2-ylbenzenesulphonyl chloride, and its CAS registry number is 912569-53-0. With the molecular formula of C10H7ClN2O2S, its molecular weight is 254.69.

Other characteristics of the 4-Pyrimidin-2-ylbenzenesulphonyl chloride can be summarised as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 68.3 Å2; (9)Index of Refraction: 1.598; (10)Molar Refractivity: 60.7 cm3; (11)Molar Volume: 177.8 cm3; (12)Polarizability: 24.06×10-24cm3; (13)Surface Tension: 55.4 dyne/cm; (14)Density: 1.432 g/cm3; (15)Flash Point: 141.7 °C; (16)Enthalpy of Vaporization: 52.96 kJ/mol; (17)Boiling Point: 310.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00108 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1cnc(nc1)c2ccc(cc2)S(=O)(=O)Cl
2.InChI: InChI=1/C10H7ClN2O2S/c11-16(14,15)9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H
3.InChIKey: BPLYUKDYQDTCTE-UHFFFAOYAO