Basic Information | Post buying leads | Suppliers |
Name |
Benzenesulfonylchloride, 3-(2-pyrimidinyl)- |
EINECS | N/A |
CAS No. | 915707-50-5 | Density | 1.432 g/cm3 |
PSA | 68.30000 | LogP | 3.15190 |
Solubility | N/A | Melting Point |
82.5-83 °C |
Formula | C10H7ClN2O2S | Boiling Point | 331.6 °C at 760 mmHg |
Molecular Weight | 254.70 | Flash Point | 154.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
3-Pyrimidin-2-ylbenzenesulphonyl chloride;3-pyrimidin-2-ylbenzenesulfonyl chloride;3-Pyrimidin-2-ylbenzenesulphonyl chloride 95% |
This chemical is called Benzenesulfonylchloride, 3-(2-pyrimidinyl)-, and its systematic name is 3-pyrimidin-2-ylbenzenesulfonyl chloride. With the molecular formula of C10H7ClN2O2S, its molecular weight is 254.70. The CAS registry number of this chemical is 915707-50-5.
Other characteristics of the Benzenesulfonylchloride, 3-(2-pyrimidinyl)- can be summarised as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.48 ; (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: 154.4 °C; (16)Enthalpy of Vaporization: 55.15 kJ/mol; (17)Boiling Point: 331.6 °C at 760 mmHg; (18)vapour Pressure: 0.000296 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(cc(c1)S(=O)(=O)Cl)c2ncccn2
2.InChI: InChI=1/C10H7ClN2O2S/c11-16(14,15)9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H
3.InChIKey: IGZSWRUGAYXXJV-UHFFFAOYAD